data_2bpn_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 2bpn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 122.018 0.913 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -49.21 165.71 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.286 3.324 . . . . 0.0 109.601 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.28 144.36 32.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.95 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.19 20.79 5.46 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.64 126.59 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.34 141.83 45.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtp -107.95 119.06 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -147.39 57.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.6 -36.16 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -91.06 -156.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.45 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 9.2 mttt -91.31 24.12 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.64 104.18 3.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.445 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 84.3 Cg_endo -80.73 131.97 8.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -136.73 116.99 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -83.19 150.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -153.1 116.79 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.401 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -102.46 126.25 49.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -54.07 -28.34 38.38 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -58.35 -42.87 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 64.9 p -77.2 -2.9 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -144.33 48.32 1.37 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.724 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -105.05 5.18 32.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 31.41 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -137.19 139.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -54.82 127.64 29.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.37 -25.07 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.03 -2.47 62.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -83.3 -37.54 23.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.11 -44.22 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.268 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -95.09 78.39 3.54 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.75 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CE1' HG21 ' A' ' 37' ' ' VAL . 3.6 p80 -70.28 155.03 94.08 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 0.0 109.775 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -75.67 121.39 6.29 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.306 3.338 . . . . 0.0 109.604 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -114.85 148.76 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.9 m120 40.08 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.83 60.5 6.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' GLU . 15.7 ttpt 178.88 103.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.2 mt-10 -33.37 124.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' CB ' HG22 ' A' ' 37' ' ' VAL . 33.2 t70 -109.36 134.15 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -129.8 22.69 5.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.823 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.7 mtt180 -95.14 171.46 8.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' ARG . 5.2 mttp -37.59 136.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.49 -46.01 91.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -73.68 -84.6 0.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.74 167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.8 120.86 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.83 -24.06 9.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.127 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -107.94 -135.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 74.3 m-70 -64.94 86.09 0.05 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.744 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.61 -17.97 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -62.85 120.61 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.6 mtt -137.84 61.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -126.86 171.56 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.8 ttpm? -107.99 79.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 163.21 -80.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.89 128.62 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 61' ' ' SER . 6.3 mtmm -103.09 -137.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER 86.48 167.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.486 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -64.68 -30.7 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -29.58 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.98 114.65 3.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.9 t80 -65.64 -48.86 70.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -0.604 . . . . 0.0 109.812 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.1 t80 -78.64 -1.65 35.3 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.831 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 61' ' ' SER . 18.7 t60 -97.21 -11.62 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.516 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 16.9 m -106.16 15.67 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.565 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.068 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -155.29 -73.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.78 149.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 -14.53 13.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -87.61 46.48 1.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.408 HG23 ' NE2' ' A' ' 67' ' ' HIS . 21.3 p -116.64 165.19 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.05 92.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -112.28 157.17 21.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 157.94 31.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.4 p -115.52 -148.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 74.1 m -105.75 -40.11 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.251 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.55 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 73.1 t -80.56 -31.42 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.02 -71.23 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 9.1 t -44.16 -46.43 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.69 -35.94 73.41 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.702 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 73.4 t -70.0 -42.33 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.12 -2.95 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 97' ' ' LEU . 4.6 ttmm . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.468 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.47 -17.14 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.76 15.99 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -129.96 -43.65 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 11.1 mt -80.27 -46.51 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.6 p -107.04 3.02 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.43 154.77 25.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.7 m -98.71 -44.38 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.8 tptp -118.95 133.97 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 86.49 -8.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.7 t -65.91 158.77 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -41.31 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.81 -60.17 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -101.58 62.73 0.94 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.72 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 122.063 0.935 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.93 176.89 9.45 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.92 147.94 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.24 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 17.83 6.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.35 120.88 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.97 139.79 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mtp -105.55 119.57 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -147.7 58.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.01 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -93.26 -156.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.0 mtmt -91.04 22.89 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.87 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.331 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 83.5 Cg_endo -80.72 130.64 7.8 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.325 3.35 . . . . 0.0 109.548 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.12 117.87 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -83.61 149.24 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -154.33 116.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -100.69 131.54 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.72 -31.47 69.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.757 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -56.51 -41.05 76.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 75.3 p -81.01 1.26 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.3 49.76 1.1 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.776 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.42 -11.49 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 31.43 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 t -136.83 134.49 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.03 129.42 30.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.45 -25.6 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 108.245 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.01 -3.2 67.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.27 -32.15 29.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.73 -45.55 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -93.92 75.36 4.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.781 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CE1' HG21 ' A' ' 37' ' ' VAL . 5.8 p80 -69.74 159.1 85.26 Favored Pre-proline 0 CA--C 1.539 0.553 0 O-C-N 124.131 0.894 . . . . 0.0 109.762 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.3 Cg_exo -65.88 128.69 20.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.322 3.348 . . . . 0.0 109.589 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.536 HG21 ' CE1' ' A' ' 35' ' ' HIS . 2.9 t -129.71 119.16 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 62.52 41.52 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.83 56.54 20.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp 176.46 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.1 mt-10 -31.87 129.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -113.43 139.1 49.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.07 20.69 4.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.814 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.4 mtt180 -88.82 171.1 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ARG . 16.6 mttt -39.77 123.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 m -43.27 -41.65 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.17 -94.18 0.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 56.46 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.15 119.86 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.92 -11.1 8.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.6 m -133.27 -138.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 70.5 m-70 -60.58 87.38 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -104.42 -17.61 14.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.53 124.64 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.1 mtt -141.81 63.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -137.46 -172.1 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -118.46 90.26 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 4.2 mttt 170.08 -73.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.31 126.65 28.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.7 mtmt -117.19 9.96 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -58.89 169.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.24 -31.62 44.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -30.83 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.03 116.11 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.4 t80 -69.81 -41.17 75.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.997 -0.601 . . . . 0.0 109.838 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.788 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -85.3 -2.81 58.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.847 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 14.8 t60 -96.08 -11.32 26.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.484 HG13 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -105.77 16.08 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.542 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.38 30.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.788 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 77.8 m80 -155.38 -75.08 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.79 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.3 OUTLIER -44.68 155.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -8.89 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.18 50.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 p -118.45 165.4 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.02 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.12 169.0 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -74.2 158.62 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 71' ' ' ASP . 0.9 OUTLIER -120.22 -154.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.8 m -95.78 -52.33 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 108.286 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.563 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 83.7 t -72.92 -28.96 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.22 -73.33 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.5 t -43.4 -49.34 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -55.31 -37.65 67.65 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.774 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 58.1 t -70.41 -39.68 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.74 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.13 -8.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -115.14 15.76 17.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HB3' ' CE ' ' A' ' 104' ' ' LYS . 43.0 m-20 -136.67 -46.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.2 mt -70.65 -43.28 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 76.3 p -100.74 -4.97 27.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -66.36 159.3 47.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 0.0 OUTLIER -109.94 -75.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 122.02 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt 60.75 41.46 14.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -105.63 -172.74 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 53.8 mmtt -91.37 30.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 104' ' ' LYS . 96.4 m -152.19 -62.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 96.8 m-70 -99.44 59.03 1.1 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.797 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 122.058 0.932 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.28 177.73 8.4 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 0.0 109.587 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.69 145.38 25.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.23 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.91 21.28 5.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -103.99 130.79 51.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -139.82 137.43 34.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 mtp -105.95 115.01 29.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 7.1 pt-20 -144.24 55.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.91 29.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -97.03 -157.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 20.8 mttt -90.79 22.51 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.14 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.8 Cg_endo -80.61 132.43 8.86 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.37 3.38 . . . . 0.0 109.586 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.13 120.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.67 149.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -155.13 115.53 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.401 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -98.37 131.82 44.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -59.61 -23.08 62.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.798 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.4 p -65.44 -36.29 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 69.2 p -83.99 -0.72 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -146.17 48.83 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.778 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 1.6 29.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.22 28.12 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.47 138.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 130.22 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -55.01 -26.78 39.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.305 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.51 -3.07 57.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -83.01 -35.82 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.51 -44.41 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.28 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -95.96 77.42 3.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.788 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 8.4 p80 -70.38 154.79 94.24 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 124.12 0.888 . . . . 0.0 109.805 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.41 120.18 5.83 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 0.0 109.608 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.448 ' CG2' ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -119.12 145.47 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.61 25.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.99 60.15 6.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.1 tttp 176.69 102.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' LYS . 31.5 mt-10 -35.26 123.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 40' ' ' LYS . 3.3 m-20 -112.48 133.48 54.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.55 20.54 8.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -86.49 170.37 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' CYS . 25.8 mttp -40.29 119.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LYS . 64.2 m -41.18 -39.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.84 -92.61 0.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 54.87 150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 0.729 . . . . 0.0 110.394 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.23 120.26 16.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.05 -15.78 8.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 9.5 m -125.99 -136.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.494 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 75.5 m-70 -61.71 88.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.77 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.37 -16.66 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -62.73 123.65 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.2 mtt -140.73 62.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -130.35 -166.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -124.43 89.18 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 14.8 mtpt 165.61 -74.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.52 130.13 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -120.89 11.63 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 t -59.32 169.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.84 -29.03 59.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.8 115.79 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.18 -43.32 74.44 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.007 -0.597 . . . . 0.0 109.793 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.6 t80 -84.38 -0.91 54.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.875 -0.583 . . . . 0.0 109.812 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.0 t60 -97.29 -11.45 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.484 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.07 14.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.0 30.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.1 m80 -156.95 -73.05 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.41 151.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.63 -17.47 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.58 48.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.3 p -116.9 165.47 13.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -40.38 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.07 160.72 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -67.01 158.09 31.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 p -116.39 -149.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.5 m -104.9 -41.25 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.555 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 73.7 t -80.47 -30.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.32 -72.01 0.65 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 11.4 t -43.55 -47.84 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.63 -37.24 70.47 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.731 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 78.7 t -70.63 -40.58 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.09 -4.91 41.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 7.9 ttmm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -76.42 -1.43 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 1.19 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -116.81 -31.51 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 93' ' ' LYS . 35.8 mt -90.84 -43.5 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -107.79 1.39 22.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.02 159.1 4.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.8 m -104.86 -42.76 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 26.5 tptt -125.63 127.83 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 90.62 7.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 48.0 t -84.21 160.11 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -39.34 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.9 m -70.68 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -97.78 60.79 1.54 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 122.047 0.927 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.29 177.43 8.77 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -85.31 147.92 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.16 168.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 15.05 7.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.12 123.34 45.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.55 142.43 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtp -109.63 120.86 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -148.83 59.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.61 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -101.66 -156.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 5.2 mttt -91.81 27.31 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' CG ' ' C ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -155.78 104.79 2.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 97.7 Cg_endo -78.96 134.2 11.66 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.29 3.327 . . . . 0.0 109.629 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.67 112.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.78 150.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.85 116.74 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -99.85 131.6 45.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -58.81 -27.49 65.11 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.828 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -60.5 -39.82 89.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 68.0 p -80.97 0.79 33.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -146.71 49.44 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.775 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -106.03 2.84 27.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -111.61 29.6 7.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -136.26 137.41 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.87 127.16 24.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.94 -25.18 19.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 108.301 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.0 -3.77 65.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -82.12 -36.18 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.84 -43.03 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -97.05 78.07 2.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CE1' HG23 ' A' ' 37' ' ' VAL . 3.8 p80 -68.86 154.66 94.62 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.156 0.91 . . . . 0.0 109.781 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -75.87 120.91 5.97 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.345 3.363 . . . . 0.0 109.609 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.595 HG23 ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.68 147.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 39.97 33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.98 58.59 12.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.5 ttmt -178.1 102.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.7 mt-10 -34.91 124.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.92 136.42 49.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.14 22.86 4.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.806 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.4 mtt180 -95.0 173.15 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.7 OUTLIER -37.63 136.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.65 -44.7 96.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.47 -85.02 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.17 167.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.76 121.83 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.52 -24.4 9.75 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.7 m -108.34 -137.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.494 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 68.0 m-70 -63.08 78.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.77 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -106.29 23.97 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -110.81 121.29 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.2 mtt -127.46 56.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -107.78 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.6 tttp -116.06 82.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 6.8 mttt 165.48 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -39.61 128.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.1 mtmp? -112.91 23.11 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -72.95 159.17 34.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.473 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -52.78 -32.32 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -26.08 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.01 117.35 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.555 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.2 t80 -66.11 -50.86 62.57 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.978 -0.611 . . . . 0.0 109.821 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.803 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.4 t80 -77.82 0.0 25.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.6 t60 -98.77 -10.43 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 18.9 m -108.98 16.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.555 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.803 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.9 m80 -156.06 -72.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.749 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.39 149.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -110.5 -15.83 13.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.21 47.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.9 p -115.8 166.25 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -41.16 96.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 11.0 m-85 -110.9 165.5 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -71.21 157.75 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -115.72 -155.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.8 m -105.95 -37.37 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 67.1 t -88.07 -7.96 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -83.93 -70.86 1.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 52.6 t -45.9 -38.2 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.45 -37.1 79.89 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.761 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 64.4 t -72.67 -32.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.32 -4.94 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 71.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 5.4 mtpp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -72.65 -5.13 35.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -122.39 -1.16 9.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.71 -30.25 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 97' ' ' LEU . 1.6 mt -90.31 -42.55 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -105.45 -1.72 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.17 156.23 1.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 29.6 m -103.4 -42.68 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.4 tppt? -127.0 129.83 48.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 10.0 ttpt 90.32 -1.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 43.5 t -75.98 158.94 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -36.62 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.7 m -74.89 -61.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -103.96 64.58 0.79 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.731 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 122.092 0.948 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.51 177.58 8.2 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -88.6 150.02 23.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.3 m-20 -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.33 7.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.03 120.58 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 139.13 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.8 116.38 31.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -144.13 55.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -103.97 -157.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.432 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 13.4 mtmt -91.14 29.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' CG ' ' C ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -157.23 104.35 1.87 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.46 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 95.8 Cg_endo -78.7 129.51 9.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.303 3.335 . . . . 0.0 109.622 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.32 112.07 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.92 149.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -153.03 116.29 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.11 129.18 46.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 25.7 m80 -58.99 -19.7 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.749 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -64.89 -43.98 91.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.2 p -77.62 -2.4 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -142.5 47.35 1.58 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.79 3.7 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.29 31.05 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -136.12 144.13 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -58.46 126.12 26.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.06 -24.16 23.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.81 -2.3 64.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.65 -37.78 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.99 -45.61 5.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.276 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.36 77.11 3.92 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.763 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -68.86 154.66 94.63 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.199 0.937 . . . . 0.0 109.775 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.83 118.2 5.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.316 3.344 . . . . 0.0 109.633 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' C ' ' N ' ' A' ' 39' ' ' GLY . 1.4 t -114.68 147.51 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 43.14 28.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.94 58.5 9.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.2 tttp -179.81 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.8 mt-10 -34.84 124.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' CB ' HG22 ' A' ' 37' ' ' VAL . 11.5 t70 -110.76 138.62 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -130.08 13.64 5.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.57 176.89 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.239 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -46.74 133.49 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.2 -27.41 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 52' ' ' HIS . . . -116.63 49.17 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.81 148.23 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 130.19 14.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . . . 97.46 14.44 41.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 50' ' ' GLY . 24.0 m -150.98 -133.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 80.9 m-70 -69.52 91.5 0.58 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.793 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 17.89 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -91.26 115.13 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.73 59.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -139.47 -167.49 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.69 89.01 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 7.0 mttt 170.23 -74.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 -40.37 130.99 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.29 3.68 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 178.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -62.09 -14.7 39.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -70.81 -35.5 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.58 121.97 1.98 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.2 t80 -78.71 -41.49 30.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.991 -0.605 . . . . 0.0 109.834 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.742 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -85.91 -5.5 59.22 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.871 -0.585 . . . . 0.0 109.824 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -94.0 -10.75 32.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.559 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 20.9 m -105.83 16.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.55 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.46 34.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.742 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.3 m80 -156.54 -63.58 0.1 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.7 170.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 74' ' ' THR . 4.8 pttt -126.94 -44.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -45.45 -26.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.428 ' N ' ' C ' ' A' ' 72' ' ' LYS . 20.8 p -40.91 162.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -37.3 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -114.54 165.68 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.09 158.14 36.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 p -113.83 -149.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 69.8 m -106.06 -37.26 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 91.2 t -82.16 -34.1 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -54.65 -71.07 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.9 t -43.95 -47.74 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.36 -35.98 70.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 82.6 t -70.29 -35.86 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.45 -11.22 59.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.8 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.443 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.93 -17.9 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.11 17.2 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -43.71 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.78 -45.58 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.8 p -108.02 1.87 22.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.02 150.86 45.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.587 1.179 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.39 -47.32 6.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 136.39 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 81.03 -3.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 24.4 t -70.53 153.72 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -41.91 83.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.3 m -68.06 -59.26 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.429 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 91.8 m-70 -105.96 64.61 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.766 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 122.037 0.922 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.5 Cg_exo -40.08 161.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.287 3.325 . . . . 0.0 109.637 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.48 146.95 46.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.29 167.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.04 29.46 2.17 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.94 121.81 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.76 144.79 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mtp -111.59 118.11 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -146.51 57.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.28 -36.19 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -91.99 -157.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 20.5 mtpt -90.5 30.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.16 103.89 2.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 96.8 Cg_endo -80.46 130.12 7.81 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.31 3.34 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.7 t -135.23 115.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.239 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -84.14 146.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -147.37 116.53 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.7 m-80 -95.55 133.31 39.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -65.22 -28.7 69.55 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.767 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.3 p -62.72 -37.67 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 23.5 p -82.05 2.19 32.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -147.33 48.84 1.11 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -11.21 17.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p -93.76 23.9 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.58 137.04 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.63 132.17 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.2 m -54.73 -25.25 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.74 -2.32 60.59 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -83.34 -33.94 25.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.68 -44.41 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -94.33 81.66 4.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CE1' HG23 ' A' ' 37' ' ' VAL . 8.8 p80 -80.39 157.44 72.78 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.192 0.933 . . . . 0.0 109.74 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.5 Cg_exo -65.63 136.05 44.5 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.336 3.358 . . . . 0.0 109.573 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.552 HG23 ' CE1' ' A' ' 35' ' ' HIS . 3.4 t -135.8 -76.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.62 66.25 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 29.5 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.83 135.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.9 mt-10 -35.74 119.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.22 144.22 29.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 9.4 m-85 -131.66 24.44 4.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -91.11 168.92 11.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' ARG . 31.2 mttt -39.27 130.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.9 m -49.89 -41.42 45.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 108.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.61 -93.14 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.524 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.17 150.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.409 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.92 119.95 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.88 -9.83 9.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.3 m -133.52 -139.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 63.1 m-70 -61.3 76.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.9 p-10 -106.52 23.38 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -109.0 124.49 50.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.1 mtt -128.82 57.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.56 -166.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 3.4 tptp -143.57 97.81 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 13.7 tttm 164.39 -41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -87.75 118.66 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.73 48.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 6.5 t -95.59 178.94 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -74.65 -5.51 43.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -91.41 -4.33 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.083 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.76 121.81 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.601 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -70.97 -52.76 17.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.846 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.812 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.6 t80 -77.66 0.89 21.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.452 ' ND1' ' OD2' ' A' ' 71' ' ' ASP . 15.2 t60 -99.76 -9.32 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.434 ' C ' ' HG2' ' A' ' 69' ' ' MET . 28.5 m -111.57 16.33 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.601 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.44 26.91 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.812 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -154.6 -70.44 0.13 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.787 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 2.6 m-20 -45.88 152.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -118.0 -4.38 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -97.2 49.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 p -119.82 164.43 16.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -62.88 -39.64 95.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.66 159.47 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 159.73 32.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.97 -148.22 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 75.8 m -102.7 -49.72 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 82.7 t -75.34 -28.11 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -58.06 -72.18 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.9 t -43.66 -48.91 7.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.45 -37.11 64.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.744 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 69.0 t -73.06 -34.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.74 -4.13 57.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -78.22 -1.15 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -123.68 -1.29 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.48 -27.54 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.415 HD22 ' N ' ' A' ' 97' ' ' LEU . 2.8 mt -94.17 -42.41 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.0 p -106.09 -0.69 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.71 155.97 3.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.3 m -101.28 -42.7 6.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.1 tptp -125.76 133.83 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 87.73 -6.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 47.7 t -70.42 158.51 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -36.41 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.8 -65.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -98.93 60.96 1.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.766 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.126 0.965 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.49 177.57 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.294 3.33 . . . . 0.0 109.623 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -86.89 144.84 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.46 43.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -131.55 132.45 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' CB ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.72 134.64 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -108.23 82.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.5 pt-20 -118.22 38.47 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.9 -18.23 64.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -110.97 -158.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 1.3 mtmt -91.99 27.32 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mp0 -150.0 89.18 4.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 16.0 Cg_exo -68.2 115.58 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.326 3.351 . . . . 0.0 109.599 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.0 t -131.72 114.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -88.52 146.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -141.92 116.55 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.14 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -66.92 -32.86 74.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.761 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -56.08 -38.67 70.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -80.9 -1.32 42.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -149.52 50.59 0.94 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.766 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -16.31 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -91.21 32.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 t -138.78 138.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 136.46 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -58.49 -24.99 61.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.2 -4.62 68.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.51 -32.78 28.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.29 -49.13 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -90.42 77.23 6.58 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.765 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.5 ' CE1' HG21 ' A' ' 37' ' ' VAL . 4.8 p80 -68.94 158.94 84.91 Favored Pre-proline 0 CA--C 1.539 0.555 0 O-C-N 124.199 0.937 . . . . 0.0 109.763 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.9 Cg_exo -64.01 129.95 26.01 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.273 3.316 . . . . 0.0 109.64 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.5 HG21 ' CE1' ' A' ' 35' ' ' HIS . 4.4 t -132.4 111.46 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.55 40.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.89 44.68 71.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -171.28 103.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' LYS . 38.5 mt-10 -33.34 127.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.59 147.23 40.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.95 20.72 3.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.821 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.42 168.13 16.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ARG . 10.9 mttt -39.58 126.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.27 -43.03 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.261 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -83.74 -94.32 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.56 150.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 122.8 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.82 -6.74 13.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 m -138.73 -140.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 58.0 m-70 -60.24 81.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -113.49 26.39 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -103.61 121.03 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.4 mtt -132.97 58.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -126.31 171.43 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 35.0 tttm -110.23 79.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 3.4 mmtm 163.82 -77.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t0 -39.78 119.78 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -97.01 -141.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER 86.83 173.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -71.25 -15.09 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.02 -33.69 76.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.75 123.3 6.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.54 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.4 t80 -71.82 -49.39 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.017 -0.591 . . . . 0.0 109.79 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 66' ' ' TYR . 2.1 p90 -78.76 -8.9 59.19 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.821 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -89.04 -8.82 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 29.3 m -111.2 21.41 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.12 28.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 79.3 m80 -147.71 -74.57 0.19 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.795 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -54.42 158.6 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -112.83 -34.32 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -47.61 -26.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.1 p -44.12 165.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -39.7 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -110.15 169.3 8.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.53 158.42 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.2 p -118.95 -174.03 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.2 m -79.28 -41.45 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.554 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 65.2 t -79.32 -36.15 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -50.57 -70.24 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.7 t -44.87 -49.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -57.6 -33.95 68.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.803 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 88.0 t -70.84 -33.52 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.88 -3.73 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -73.5 -1.47 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.57 3.67 12.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.73 -28.02 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 mt -96.64 -44.37 7.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.1 p -107.4 2.83 24.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.19 154.04 53.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.47 -47.6 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 144.61 35.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.31 7.55 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.3 t -80.06 150.77 30.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.76 -43.92 73.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 m -67.24 -59.71 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.588 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 98.8 m-70 -101.5 62.04 0.93 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.776 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.125 0.964 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ALA . 88.1 Cg_exo -41.0 163.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.327 3.352 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.2 146.38 29.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.91 167.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.52 18.18 5.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.39 126.38 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.9 140.96 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 mtp -103.22 120.66 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -148.55 58.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.76 -35.57 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -93.02 -156.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.42 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 1.2 mtpt -91.13 28.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -153.56 103.52 2.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 87.3 Cg_endo -81.07 131.1 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.309 3.339 . . . . 0.0 109.609 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -136.07 118.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -81.97 150.39 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.636 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -152.44 117.5 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.7 m-80 -103.0 131.27 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -60.61 -29.5 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.754 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 p -57.2 -44.0 83.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 57.5 p -75.94 -4.04 38.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -143.11 47.68 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.784 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -104.58 2.1 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 29.79 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.078 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -135.05 140.63 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 127.81 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.6 -24.66 22.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.76 -3.74 68.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -82.07 -34.89 29.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -44.24 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -94.93 78.09 3.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.787 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.579 ' CE1' HG21 ' A' ' 37' ' ' VAL . 4.2 p80 -69.59 154.82 94.47 Favored Pre-proline 0 CA--C 1.539 0.539 0 O-C-N 124.146 0.903 . . . . 0.0 109.777 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.91 121.68 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 0.0 109.633 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.579 HG21 ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -115.22 148.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 41.19 29.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.64 60.8 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.58 104.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.6 mt-10 -33.16 123.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' CB ' HG22 ' A' ' 37' ' ' VAL . 9.8 t70 -107.6 134.63 50.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -131.39 19.38 4.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' LYS . 46.5 mtm180 -92.8 172.51 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -37.17 136.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.08 -45.93 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.31 -84.47 0.31 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.02 168.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.395 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.58 122.57 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.88 -22.98 11.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -110.76 -138.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 65.3 m-70 -62.26 81.32 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.757 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -112.06 27.29 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -112.47 117.65 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mtt -125.15 55.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -111.18 172.14 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -110.35 80.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 1.7 mttt 171.44 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t0 -40.21 131.26 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.6 mtpp -125.35 22.72 7.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -72.66 -179.4 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -69.41 -8.41 46.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -11.79 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.81 115.38 5.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.589 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.9 t80 -63.57 -54.88 29.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.846 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.81 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.1 t80 -73.17 -1.82 19.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.846 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 19.0 t60 -97.49 -12.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG12 ' CE1' ' A' ' 52' ' ' HIS . 20.2 m -107.93 18.87 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.589 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.15 27.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.81 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 78.8 m80 -153.18 -80.41 0.1 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.717 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.94 154.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -5.48 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -90.23 41.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -114.89 165.98 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.96 91.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -118.28 153.17 34.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -61.71 159.36 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -115.54 -95.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 86.3 m -153.13 -47.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.259 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.553 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 55.9 t -72.82 -32.7 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.34 -70.23 1.02 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.7 t -44.4 -48.15 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.82 -35.89 71.5 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.772 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 69.9 t -71.85 -33.01 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 2.0 tt0 -82.87 -8.15 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.73 -18.05 7.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.41 18.72 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -134.8 -43.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.69 -47.08 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 55.1 p -104.76 -1.27 26.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.97 2.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.8 m -103.12 -40.45 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.3 pttt -123.06 131.4 53.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER 87.42 -6.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' GLU . 13.7 t -66.54 151.34 47.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -42.31 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 64.7 m -66.63 -54.64 21.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 108.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -107.92 65.52 0.64 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.771 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.093 0.949 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -45.16 166.92 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.253 3.302 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.79 128.5 33.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.68 165.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.96 24.22 4.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 129.75 55.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.11 132.64 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.56 116.9 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 4.6 pt-20 -147.14 56.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.25 30.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -90.93 -158.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 7.2 mttp -90.61 30.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.61 102.96 2.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 85.8 Cg_endo -81.08 130.14 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.349 3.366 . . . . 0.0 109.576 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -136.34 109.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -69.83 148.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -155.76 113.05 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -105.9 134.7 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -60.81 -17.82 51.78 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -69.3 -39.2 78.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 70.4 p -74.66 -4.73 39.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -146.69 49.7 1.14 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.617 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -99.46 103.9 15.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.66 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.0 133.05 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 128.66 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.26 -24.5 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.36 -4.12 59.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -80.53 -31.46 37.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.82 -52.84 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -84.57 76.16 10.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.474 ' CE1' HG23 ' A' ' 37' ' ' VAL . 8.4 p80 -73.77 158.66 85.81 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 124.185 0.928 . . . . 0.0 109.745 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 19.8 Cg_exo -64.95 134.46 40.08 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.309 3.34 . . . . 0.0 109.59 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.474 HG23 ' CE1' ' A' ' 35' ' ' HIS . 3.3 t -133.37 -75.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.02 65.45 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.11 29.54 0.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.86 134.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.7 mt-10 -36.91 117.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.8 147.54 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.02 21.68 5.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.862 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -85.03 163.42 18.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ARG . 9.5 mttm -39.81 133.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.8 m -48.2 -44.73 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.54 -93.81 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER 55.05 150.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 110.436 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.71 120.57 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -6.9 10.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -138.44 -139.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 62.8 m-70 -60.9 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.737 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 p-10 -109.72 25.1 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 t -103.67 122.23 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mtt -132.32 58.89 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -121.95 -167.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -130.11 90.79 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 mttt 170.88 -83.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.01 126.92 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 4.7 pttm -122.11 33.32 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.535 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 33.8 t -67.0 -167.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -70.63 -7.39 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -90.88 -12.92 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.03 121.8 14.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.6 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.2 t80 -70.92 -48.7 52.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.969 -0.616 . . . . 0.0 109.868 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.2 t80 -80.9 -0.66 40.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.902 -0.57 . . . . 0.0 109.862 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 13.8 t60 -99.22 -8.39 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.555 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.433 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 26.2 m -111.17 17.67 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.6 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.69 25.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.8 m80 -149.44 -61.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.731 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.467 ' OD2' ' CE1' ' A' ' 67' ' ' HIS . 5.7 m-20 -51.59 177.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' THR . 10.3 pttm -136.58 -46.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 74' ' ' THR . 1.7 m-20 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 73' ' ' ASN . 22.2 p -41.69 164.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -40.54 91.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.46 163.5 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -68.9 157.98 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 p -119.85 -170.71 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 85.4 m -79.28 -46.38 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.349 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.574 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 55.4 t -74.89 -33.05 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.55 -72.34 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.0 t -43.78 -50.49 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.1 -36.23 67.94 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.753 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 61.3 t -70.98 -33.25 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.59 -19.99 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -68.08 -7.4 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -119.72 -0.48 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.53 -29.01 6.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.2 mt -92.09 -44.36 8.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 70.9 p -106.77 0.64 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.73 156.62 31.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.3 m -98.17 -46.01 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 142.8 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.66 5.59 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.7 t -78.97 151.53 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -42.38 67.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 41.3 m -68.09 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.31 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -100.12 61.85 1.1 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.761 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.04 0.924 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 80.6 Cg_exo -40.53 162.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.261 3.307 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -84.66 179.14 7.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -44.17 167.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.32 -8.72 3.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.453 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 0.3 OUTLIER -99.25 129.11 45.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 121.39 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -94.63 86.19 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.0 pt-20 -122.92 42.15 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.02 -23.74 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -104.39 -159.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 9.8 mtmm -92.84 30.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' CG ' ' C ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -155.55 91.6 2.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 23.4 Cg_exo -64.5 127.37 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 0.0 109.624 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -138.69 99.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -77.91 155.59 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -148.16 119.51 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -88.85 144.72 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -79.84 -28.69 40.04 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.782 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -68.47 -18.63 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -99.92 5.15 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -150.47 50.76 0.88 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.763 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -101.0 -21.17 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 37.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.6 t -135.1 144.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -47.78 119.83 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.6 t -54.88 -20.25 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.71 12.85 62.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.68 -38.19 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.19 -46.98 6.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -94.79 77.32 3.67 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.739 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CE1' HG21 ' A' ' 37' ' ' VAL . 4.6 p80 -71.22 159.79 84.47 Favored Pre-proline 0 CA--C 1.539 0.557 0 O-C-N 124.124 0.89 . . . . 0.0 109.727 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.6 Cg_exo -64.17 130.63 27.75 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.341 3.36 . . . . 0.0 109.63 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.524 HG21 ' CE1' ' A' ' 35' ' ' HIS . 10.2 t -136.91 125.31 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.253 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.29 35.46 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.63 18.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 tttm 171.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 40' ' ' LYS . 14.1 mt-10 -29.25 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.2 145.8 39.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -132.86 23.87 4.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.791 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 mtm180 -91.51 169.1 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -37.64 141.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.6 m -61.06 -44.78 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -75.25 -85.89 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.435 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.57 167.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.433 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.98 121.47 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.77 -14.66 14.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 4.0 m -120.16 -139.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 64.9 m-70 -61.18 87.4 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.755 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -113.47 20.1 16.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -96.06 117.82 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.01 59.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -125.92 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -125.27 92.29 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 3.9 mttm 164.28 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.31 127.24 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 8.3 mttm -118.18 15.37 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.5 t -57.3 174.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.473 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.02 -31.54 51.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -32.25 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.37 116.51 3.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.5 t80 -69.28 -46.89 66.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.838 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.795 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -79.21 -2.98 43.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.777 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 60' ' ' LYS . 13.6 t60 -97.05 -10.05 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.413 ' C ' ' HG2' ' A' ' 69' ' ' MET . 17.3 m -107.39 15.24 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.557 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.18 26.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.795 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.5 m80 -150.32 -80.99 0.11 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.763 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -43.14 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -122.03 -1.02 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -92.13 43.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 67' ' ' HIS . 23.5 p -119.37 164.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.1 92.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 62.9 m-85 -112.51 144.7 41.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.8 157.27 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -111.1 -114.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 73.9 m -138.04 -48.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.545 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 54.8 t -73.33 -31.51 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.69 -70.31 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.9 t -43.9 -48.41 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.59 -37.28 70.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.8 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 86.7 t -69.47 -31.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.75 -10.57 55.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HD2' ' CD1' ' A' ' 97' ' ' LEU . 6.5 ttmm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -60.95 -14.5 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 13.49 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.38 -42.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 8.6 mt -81.55 -51.63 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.7 p -101.57 -4.67 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.01 150.56 9.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -94.73 -44.54 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.6 tptp -115.48 131.92 56.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.1 tttt 87.8 -7.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 29.4 t -67.06 154.79 40.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -59.56 -39.96 85.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.5 m -68.05 -55.46 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -109.82 65.73 0.62 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.728 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.056 0.932 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.39 160.95 15.22 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.334 . . . . 0.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -73.56 143.83 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.95 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.04 43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.89 132.82 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' CB ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.98 133.69 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.1 mtp -105.88 95.91 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -128.83 46.97 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -17.88 60.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -112.22 -155.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 3.2 mttp -91.24 24.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -149.52 103.05 3.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 90.6 Cg_endo -83.35 110.16 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.261 3.307 . . . . 0.0 109.571 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -122.13 116.03 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.37 144.25 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -139.65 115.12 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -91.71 143.05 26.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -74.32 -26.91 60.45 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.764 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -69.58 -17.24 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 17.4 p -101.37 7.13 42.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -151.48 43.74 0.76 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.723 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.2 ptpp? -89.19 162.75 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.4 p 85.51 -47.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -51.1 132.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -53.55 122.82 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -52.93 -22.29 5.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.08 -5.29 70.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -80.0 -34.84 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.09 -43.44 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.07 73.57 2.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' HG21 ' A' ' 37' ' ' VAL . 6.0 p80 -69.07 158.36 86.74 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.147 0.904 . . . . 0.0 109.784 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 16.8 Cg_exo -66.5 128.44 19.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.32 . . . . 0.0 109.591 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 35' ' ' HIS . 3.0 t -128.83 111.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.2 52.14 53.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.1 tttp -178.21 104.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 40' ' ' LYS . 15.5 mt-10 -32.67 127.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -111.54 133.89 53.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.15 17.27 7.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.96 172.66 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -40.93 123.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 m -42.68 -43.08 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.28 -93.76 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.507 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.76 151.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 123.58 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -8.87 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -136.15 -139.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.481 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 63.7 m-70 -59.75 81.62 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 52.4 t0 -115.45 27.97 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -106.12 118.08 35.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -131.52 58.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -122.35 -167.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.58 90.89 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER 167.96 -67.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 129.06 38.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -121.74 29.24 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.79 173.68 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.61 -29.39 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -63.83 -19.92 65.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.56 118.8 16.08 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.0 t80 -68.46 -49.09 62.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.951 -0.625 . . . . 0.0 109.794 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.814 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -78.47 -2.82 40.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.795 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.424 ' CE1' HG21 ' A' ' 74' ' ' THR . 13.6 t60 -96.98 -11.21 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 22.1 m -107.39 16.77 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.587 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.83 30.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.814 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 72.3 m80 -152.68 -74.4 0.14 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.39 151.56 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.4 -13.9 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -14.23 62.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.424 HG21 ' CE1' ' A' ' 67' ' ' HIS . 24.2 p -54.76 165.59 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 76' ' ' PHE . 25.9 tttp -64.87 -38.86 92.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.9 m-30 -107.99 162.83 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 157.7 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -121.72 -176.23 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.37 -46.1 28.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.546 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 55.2 t -77.52 -33.85 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.1 -70.58 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.2 t -44.22 -49.49 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -56.2 -35.02 66.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 86.3 t -74.45 -33.4 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.99 -16.26 50.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -73.5 -4.88 36.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -120.15 0.23 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -117.95 -26.24 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -96.83 -43.69 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 46.2 p -107.21 2.44 24.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.39 155.97 27.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.7 m -97.47 -41.37 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -125.79 135.93 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 87.68 -8.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 40.8 t -71.55 159.64 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.73 -40.63 84.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.5 m -67.76 -61.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.313 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 87.5 m-70 -107.58 66.05 0.66 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.781 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 122.033 0.92 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 68.3 Cg_exo -40.29 162.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.34 3.36 . . . . 0.0 109.576 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -55.68 141.4 38.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.37 150.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 42.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.46 122.32 37.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 148.23 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mtm -117.59 112.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 1.6 pt-20 -143.41 53.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -19.48 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -106.3 -158.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.9 mtpp -90.64 23.43 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -151.09 103.68 2.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 86.1 Cg_endo -80.67 126.96 6.17 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.284 3.323 . . . . 0.0 109.559 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.31 113.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.38 145.09 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -144.02 116.0 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.732 ' N ' HD21 ' A' ' 21' ' ' ASN . 0.8 OUTLIER -92.23 133.2 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -65.63 -28.31 69.02 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.752 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.0 p -64.96 -39.72 93.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 18.4 p -77.19 -2.4 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -144.29 46.98 1.41 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.773 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.07 -13.58 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -91.72 26.3 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -134.22 140.21 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.55 136.49 58.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -57.86 -25.84 61.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 108.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.1 -2.56 58.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -84.61 -36.74 21.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.63 -47.66 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -91.77 77.28 5.57 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.781 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 6.5 p80 -68.2 155.26 92.64 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.117 0.885 . . . . 0.0 109.78 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 35' ' ' HIS . 54.9 Cg_endo -74.69 118.72 5.42 Favored 'Trans proline' 0 N--CA 1.446 -1.301 0 C-N-CA 124.361 3.374 . . . . 0.0 109.593 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' C ' ' N ' ' A' ' 39' ' ' GLY . 1.5 t -115.25 147.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 44.1 27.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.36 57.79 10.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' GLU . 18.9 ttmt 179.46 103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.2 mt-10 -35.37 123.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -114.71 137.01 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.87 9.1 9.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.44 165.31 24.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -41.76 135.96 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.49 -29.27 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 52' ' ' HIS . . . -116.65 48.72 0.91 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.22 147.89 22.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.7 125.67 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 51' ' ' CYS . . . 101.74 15.47 26.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 50' ' ' GLY . 31.4 m -150.91 -131.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 81.9 m-70 -71.95 88.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.788 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -105.05 -12.1 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 65' ' ' TYR . 2.1 t -63.9 120.97 12.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.4 mtt -142.46 63.25 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -138.26 -166.97 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 64.1 tttt -115.26 84.88 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.8 mmtp 163.81 -75.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 -40.13 113.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.6 mtpt -111.47 -10.46 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.7 m -43.7 166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.487 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -51.58 -23.14 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -30.5 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.4 118.35 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.8 t80 -75.69 -36.55 60.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.01 -0.595 . . . . 0.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.649 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -91.74 -3.55 56.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.865 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 15.3 t60 -95.63 -11.71 26.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.444 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 31.2 m -104.26 14.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.538 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.73 34.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.4 m80 -158.33 -66.29 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.806 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.35 151.36 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 -27.62 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -23.7 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.5 p -41.75 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.77 91.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.34 170.2 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -69.31 157.71 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.6 p -118.75 -175.22 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 70.9 m -79.91 -42.4 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.553 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 91.9 t -80.88 -32.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.5 -70.51 0.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 5.3 t -44.36 -48.72 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.02 -36.74 70.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.784 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 87.1 t -74.94 -33.48 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.429 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -82.3 -18.01 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 53.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.3 pptp? -83.98 1.51 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -119.6 6.49 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -130.47 -43.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -74.97 -36.96 62.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 68.7 p -108.52 -0.76 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.33 152.61 20.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.9 m -96.48 -46.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 150.25 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt 50.52 22.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -78.08 164.32 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -62.44 -21.59 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 m -99.1 -58.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.21 58.04 2.44 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.125 0.964 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -40.3 161.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.306 3.337 . . . . 0.0 109.612 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.55 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.04 170.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.12 17.01 6.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.54 125.21 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.64 140.2 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtp -104.68 118.73 37.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -146.59 58.39 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.09 -16.46 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -112.62 -159.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 20.1 mtpt -91.92 23.04 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -146.6 88.91 5.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.41 130.36 22.23 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.612 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.07 119.7 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -86.96 152.96 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.624 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -155.54 118.22 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -104.96 131.3 52.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' HIS . 47.8 m80 -58.85 -28.92 66.53 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.744 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 p -55.86 -43.07 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 80.7 p -75.8 -4.33 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 60.6 m80 -142.68 44.51 1.61 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.715 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -99.43 101.71 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 t 148.34 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.88 135.83 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -48.99 122.16 5.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.465 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.4 m -53.68 -23.35 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.89 -3.95 69.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -82.34 -32.47 29.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.67 -44.02 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -95.32 82.48 3.72 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' HG21 ' A' ' 37' ' ' VAL . 5.4 p80 -79.74 154.75 75.9 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 124.21 0.944 . . . . 0.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.42 130.08 14.59 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.375 3.383 . . . . 0.0 109.543 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.56 HG21 ' CE1' ' A' ' 35' ' ' HIS . 1.9 t -127.57 -77.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.16 62.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.24 30.37 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -172.22 131.89 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.9 mt-10 -36.37 120.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' CB ' HG22 ' A' ' 37' ' ' VAL . 6.0 t70 -94.48 130.02 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 6.5 m-85 -126.09 20.47 7.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.2 mtm180 -97.15 175.21 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' ARG . 18.6 mttp -37.77 137.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.7 m -62.8 -47.35 83.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -71.76 -83.37 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 54.16 167.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.416 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.69 120.83 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.46 -23.32 9.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -110.88 -139.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.515 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 64.3 m-70 -60.99 76.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.6 p-10 -106.1 25.14 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -111.96 122.22 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.3 mtt -127.43 57.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -116.27 -171.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.12 93.81 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER 164.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 124.76 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.63 33.13 4.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -82.02 177.34 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.515 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.67 -5.3 39.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.86 -12.84 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.66 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.8 t80 -64.54 -53.0 54.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.965 -0.617 . . . . 0.0 109.839 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.804 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.5 t80 -75.09 0.09 17.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.904 -0.57 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 13.4 t60 -99.11 -9.3 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.64 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 52' ' ' HIS . 18.1 m -111.74 16.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.617 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.3 23.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.804 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -151.16 -55.63 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.775 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.439 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 2.4 m-20 -52.58 -176.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -147.12 -47.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -49.66 -23.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.408 HG23 ' NE2' ' A' ' 67' ' ' HIS . 22.8 p -42.05 164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.56 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -109.77 155.56 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.28 156.83 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 70' ' ' HIS . 9.2 t -121.16 -172.96 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.53 -59.92 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.57 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 44.9 t -61.42 -35.87 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.08 -72.57 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.4 t -44.08 -50.63 8.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.8 -35.82 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 72.8 t -71.02 -33.27 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.4 -8.84 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.6 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.331 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.47 -18.2 6.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.14 21.23 17.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -137.94 -43.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.4 mt -78.36 -43.77 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 64.6 p -107.84 2.85 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.46 163.04 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.1 m -109.32 -38.84 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -127.79 130.86 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 3.2 ttmt 87.89 -8.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 t -64.86 155.21 34.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.71 -41.81 67.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.03 -57.83 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 108.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.73 64.96 0.81 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.761 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 122.08 0.943 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -41.44 163.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.292 3.328 . . . . 0.0 109.602 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.73 169.27 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -44.95 168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.87 8.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.59 1.181 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 121.58 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.31 144.27 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.97 105.3 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 1.1 mt-10 -132.73 50.53 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.18 42.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -106.51 -160.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 10.2 mttp -92.33 24.16 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.55 87.76 5.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 23.3 Cg_exo -65.84 131.0 26.03 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.334 3.356 . . . . 0.0 109.617 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.0 t -139.2 115.03 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.5 152.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -97.21 134.1 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -64.93 -31.26 72.41 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.785 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -60.12 -40.46 89.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 24.8 p -78.63 -0.88 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -145.98 49.7 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.78 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -103.65 -15.02 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -98.14 36.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -131.62 145.91 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 120.22 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -54.69 -20.65 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 14.79 61.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.87 -33.46 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.31 -52.11 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -88.66 73.65 8.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.768 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CE1' HG21 ' A' ' 37' ' ' VAL . 4.9 p80 -68.93 159.61 81.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.163 0.914 . . . . 0.0 109.787 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 22.7 Cg_exo -63.56 129.84 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.305 3.337 . . . . 0.0 109.608 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.512 HG21 ' CE1' ' A' ' 35' ' ' HIS . 10.6 t -136.35 120.5 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.49 35.52 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 40' ' ' LYS . . . 56.63 58.85 12.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 41' ' ' GLU . 13.0 tttm 170.51 104.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.787 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.9 mt-10 -30.6 126.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.3 142.75 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -128.11 19.73 6.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 42.0 mtm180 -88.5 165.77 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.3 mttt -37.42 142.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.2 m -59.94 -41.92 92.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 51' ' ' CYS . . . -77.85 -87.6 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.76 167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.08 125.04 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.43 -15.45 22.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 3.9 m -120.48 -140.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 61.2 m-70 -61.05 82.52 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.713 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -112.06 27.28 9.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -110.87 116.21 30.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mtt -124.74 55.73 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.26 -169.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.64 93.78 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 170.45 -58.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.83 119.95 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.583 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 10.8 pttt -107.79 23.33 14.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -59.97 -178.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -68.1 -9.93 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -19.82 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.03 117.85 13.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.591 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.7 t80 -67.08 -50.64 61.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.031 -0.584 . . . . 0.0 109.851 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.4 t80 -76.58 -1.15 26.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 12.4 t60 -98.29 -10.24 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.437 HG12 ' CE1' ' A' ' 52' ' ' HIS . 17.2 m -109.29 15.57 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.591 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.05 26.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.3 m80 -153.76 -76.22 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.736 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.47 152.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.08 -5.59 10.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.21 43.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.551 HG23 ' CE1' ' A' ' 67' ' ' HIS . 22.0 p -117.45 165.24 13.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.561 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.05 92.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.561 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 67.5 m-85 -112.99 155.48 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.31 158.88 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.434 ' HB3' ' CA ' ' A' ' 69' ' ' MET . 35.1 m -113.46 -124.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 99.2 m -127.26 -46.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 69.2 t -77.75 -32.02 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.8 -70.98 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.9 t -43.61 -49.83 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.59 -36.5 66.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.712 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 97.8 t -70.13 -33.92 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.62 -8.0 59.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.78 -17.69 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -105.66 19.05 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -135.36 -43.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.5 mt -78.27 -43.98 26.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 57.5 p -108.71 3.02 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 157.99 9.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.1 m -104.04 -40.5 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.3 tptp -121.37 130.25 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.6 ttmt 87.49 -8.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 107' ' ' GLU . 27.1 t -63.09 153.25 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -40.36 72.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -70.55 -50.12 40.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.93 68.69 0.68 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.723 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.082 0.944 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.6 Cg_exo -40.14 162.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.322 3.348 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -52.97 144.68 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.75 148.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.01 42.63 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' CD2' ' CE1' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -126.9 123.35 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.82 144.14 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mtp -113.42 112.53 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 14.2 pt-20 -142.38 54.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.3 40.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -93.82 -158.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 9.6 mttt -90.89 31.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -157.38 103.52 1.85 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.1 Cg_endo -80.93 128.24 6.49 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.276 3.317 . . . . 0.0 109.624 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.18 112.34 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.95 145.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -145.39 115.78 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -90.33 143.18 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CE1' ' CD2' ' A' ' 9' ' ' LEU . 19.5 m80 -74.79 -24.9 58.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.75 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.0 p -69.56 -21.01 63.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 20.6 p -96.12 -0.55 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -147.06 48.19 1.14 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.752 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -12.11 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 m -90.08 20.85 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -131.76 141.75 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.35 139.34 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -58.82 -26.41 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.42 -3.49 58.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -83.69 -32.36 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.75 -46.11 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -94.33 76.38 3.93 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.772 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CE1' HG21 ' A' ' 37' ' ' VAL . 7.2 p80 -72.18 158.68 87.15 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.192 0.933 . . . . 0.0 109.751 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.22 128.21 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.283 3.322 . . . . 0.0 109.638 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 35' ' ' HIS . 3.2 t -128.94 114.5 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.72 35.53 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.15 31.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 41' ' ' GLU . 17.0 tttt 178.29 103.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 40' ' ' LYS . 7.7 mt-10 -31.5 126.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.61 133.81 52.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.16 22.37 6.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.809 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -90.66 171.38 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . 3.1 mtpm? -40.29 122.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 -40.35 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.259 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.16 -93.4 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.521 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 55.44 150.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.46 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 119.63 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.3 -7.01 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 6.4 m -136.57 -138.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.511 ' CE1' HG13 ' A' ' 68' ' ' VAL . 71.4 m-70 -60.91 88.01 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.6 -15.78 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -61.98 122.71 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 mtt -142.08 62.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -131.9 -164.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -124.58 88.16 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 2.4 mmtp 165.84 -74.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.09 128.4 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.75 11.01 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.85 170.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.89 -30.03 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -29.0 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.9 116.36 3.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.79 -44.4 70.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.588 . . . . 0.0 109.827 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.808 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -82.74 -1.36 51.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.819 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CE1' HG21 ' A' ' 74' ' ' THR . 12.8 t60 -97.67 -10.76 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.655 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.511 HG13 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.36 13.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -148.35 24.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.808 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.11 -79.91 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.775 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -41.11 151.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -9.82 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -87.34 47.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.541 HG21 ' CE1' ' A' ' 67' ' ' HIS . 24.0 p -119.77 164.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -39.69 92.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -114.01 154.14 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -63.12 157.82 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.8 m -113.74 -121.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.93 -46.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.544 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 72.1 t -76.87 -29.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.16 -70.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 6.1 t -43.92 -49.19 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -55.73 -36.93 67.79 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.772 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 83.1 t -72.85 -34.07 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.2 -7.93 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 76.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -77.3 -2.33 34.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -122.77 -1.7 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -117.17 -27.35 6.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 97' ' ' LEU . 2.3 mt -93.43 -44.03 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 62.7 p -103.61 -4.8 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.66 149.84 18.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 66.2 m -93.21 -47.19 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 137.56 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 78.79 -0.83 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' GLU . 11.8 t -71.86 148.95 45.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -40.61 59.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.02 -60.45 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 108.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -101.28 61.81 0.94 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.703 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 122.109 0.956 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 22' ' ' HIS . 48.4 Cg_endo -67.35 176.58 4.65 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.354 3.369 . . . . 0.0 109.579 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -101.35 118.3 36.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -38.5 156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.26 18.54 5.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -96.85 143.52 27.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.12 135.51 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.2 mtp -100.51 96.33 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.3 pt-20 -124.87 44.81 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.08 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 p -113.92 -157.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -92.93 32.43 1.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.428 ' HG3' ' ND1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -156.71 91.26 2.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 15.5 Cg_exo -68.05 107.58 1.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.288 3.325 . . . . 0.0 109.636 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.28 126.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.28 150.47 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.64 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -154.47 117.03 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.96 134.2 48.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 5' ' ' PRO . 35.3 m80 -63.05 -19.55 64.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -67.75 -27.34 66.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -93.44 -2.97 53.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -146.24 48.92 1.19 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.774 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -105.96 3.7 28.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -113.17 30.3 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -136.16 139.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 130.71 38.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 m -55.96 -26.63 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.18 -4.52 56.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -82.68 -32.53 28.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.21 -45.76 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.239 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -94.55 76.09 3.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.76 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' HG21 ' A' ' 37' ' ' VAL . 6.8 p80 -70.55 159.28 85.53 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.174 0.921 . . . . 0.0 109.754 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.04 128.7 20.18 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.318 3.345 . . . . 0.0 109.649 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 35' ' ' HIS . 3.3 t -130.12 114.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.93 39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.62 49.68 64.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.9 ttpt -176.63 103.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.774 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' LYS . 22.3 mt-10 -32.02 129.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -114.16 137.78 51.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 10.2 m-85 -129.45 20.73 5.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.796 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.8 mtt180 -87.73 171.11 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.0 mttm -39.63 123.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -42.93 -42.93 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.4 -93.5 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.508 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.88 150.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.12 120.7 15.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.36 -8.27 10.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.0 m -135.98 -138.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.501 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 68.4 m-70 -60.01 89.46 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.769 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -105.89 -17.09 14.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -61.97 119.33 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.6 mtt -140.17 62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -139.17 177.96 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 19.2 tttt -107.52 83.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 19.1 mttt 163.14 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.11 122.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 61' ' ' SER . 16.7 mmtt -105.24 -141.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 85.44 164.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.97 -26.52 48.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -62.22 -28.97 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.95 116.19 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.8 t80 -67.64 -46.15 73.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.968 -0.616 . . . . 0.0 109.826 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.815 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -80.69 -2.14 45.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.808 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.49 ' CE1' HG21 ' A' ' 74' ' ' THR . 10.5 t60 -98.14 -8.8 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 18.7 m -108.59 14.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -149.94 30.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.815 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 71.6 m80 -151.39 -82.11 0.1 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.693 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -49.84 150.81 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -111.4 -23.32 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.49 HG21 ' CE1' ' A' ' 67' ' ' HIS . 20.6 p -52.7 165.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -61.85 -39.48 92.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -117.97 157.62 26.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -62.47 158.14 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -116.78 -95.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.1 -47.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.538 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 48.3 t -72.94 -34.22 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.95 -68.86 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.9 t -45.13 -47.44 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.36 -34.18 70.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 95.6 t -70.8 -39.21 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.43 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -77.56 -8.18 57.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.81 -18.22 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -103.35 16.57 26.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LYS . 62.2 m-20 -129.07 -40.44 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.5 -49.05 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 38.5 p -103.37 -0.8 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.1 149.76 41.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.7 m -90.75 -42.54 10.63 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -117.27 135.1 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER 84.51 -5.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 107' ' ' GLU . 20.4 t -69.99 151.45 45.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -43.1 79.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 69.4 m -63.73 -54.09 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.428 ' ND1' ' HG3' ' A' ' 16' ' ' GLN . 94.2 m-70 -112.61 67.75 0.66 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.72 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 122.056 0.931 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -40.53 162.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.327 3.351 . . . . 0.0 109.584 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.19 158.54 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.21 168.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.96 9.46 8.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.02 126.92 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 135.13 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.87 111.15 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -138.91 52.86 1.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.92 -15.86 52.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -112.58 -156.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -91.0 30.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -158.06 104.85 1.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 59.4 Cg_endo -83.07 113.44 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -116.85 118.31 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.43 149.39 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -150.01 118.83 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.24 130.12 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -59.21 -22.76 61.54 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.77 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -65.18 -36.21 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.37 0.95 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -149.3 50.66 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.743 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 26.68 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.64 142.47 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 136.32 58.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -59.16 -26.38 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.96 -4.81 63.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.01 -34.41 26.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.55 -49.23 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -90.73 80.03 5.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.793 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CG ' ' CE2' ' A' ' 76' ' ' PHE . 4.3 p80 -70.0 154.86 94.31 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.102 0.876 . . . . 0.0 109.776 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.4 120.41 5.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.298 3.332 . . . . 0.0 109.615 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' C ' ' N ' ' A' ' 39' ' ' GLY . 1.5 t -114.96 149.01 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 41.45 29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.54 59.12 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp -179.9 102.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 0.811 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.2 mt-10 -34.83 123.99 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.407 ' CB ' HG22 ' A' ' 37' ' ' VAL . 11.5 t70 -112.58 141.9 45.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.75 22.6 3.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.831 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -92.44 172.47 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' ARG . 12.3 mttp -37.77 136.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.44 -45.69 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.08 -84.99 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER 54.03 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 119.52 29.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.2 -19.73 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 m -114.49 -137.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.489 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 66.0 m-70 -63.22 79.24 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.735 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.48 26.49 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -102.25 117.48 34.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -132.1 58.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.96 -166.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -124.31 93.5 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.2 mmmt 166.02 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.55 130.57 20.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 7.9 mttt -127.69 9.04 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.565 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.5 t -56.17 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -75.23 -3.0 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -87.99 -30.31 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.27 117.09 6.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.597 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 1.9 t80 -64.37 -63.4 1.15 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.819 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 66' ' ' TYR . 2.9 p90 -65.38 -8.26 17.77 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.936 -0.554 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 61' ' ' SER . 37.8 t60 -84.77 -28.94 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.53 ' C ' ' HG2' ' A' ' 69' ' ' MET . 32.6 m -93.91 24.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.597 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.29 31.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 73.1 m80 -157.0 -77.26 0.09 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -45.12 147.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -109.24 -7.87 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -88.94 44.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -115.91 165.47 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -39.74 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE2' ' CG ' ' A' ' 35' ' ' HIS . 10.9 m-30 -113.12 161.58 16.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -69.41 158.78 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 p -115.19 -148.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -105.83 -39.93 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.537 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 74.8 t -80.79 -31.43 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.4 -70.1 1.08 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 12.2 t -44.31 -46.59 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.766 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 97.3 t -74.37 -36.44 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -78.91 -9.85 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 54.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.45 ' HD2' ' CD1' ' A' ' 97' ' ' LEU . 1.3 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -82.76 4.22 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -126.31 0.67 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.03 -27.77 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.45 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 25.2 mt -94.43 -39.9 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 72.5 p -104.43 -0.36 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.2 151.55 49.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.74 -19.27 13.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 23.8 tptp -129.31 123.5 31.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.9 ttmt 81.14 -2.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 41.3 t -71.79 157.49 37.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.32 -28.02 62.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.0 m -81.57 -72.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -90.76 56.51 3.28 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.76 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.056 0.931 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.95 177.6 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.344 3.363 . . . . 0.0 109.571 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -79.32 135.28 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.9 42.84 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.95 128.25 47.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 138.42 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.43 106.92 16.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.6 pt-20 -137.14 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.83 -16.38 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 p -112.97 -160.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 5.4 mtmm -91.9 24.06 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.91 88.9 5.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.06 128.38 18.53 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.288 3.325 . . . . 0.0 109.595 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.98 115.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.2 147.83 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -145.41 116.64 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.61 135.46 34.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' LYS . 22.9 m80 -65.67 -34.14 77.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.743 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 p -54.4 -53.87 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -58.63 -17.74 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' HIS . 68.3 m80 -129.03 38.63 3.9 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.719 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.621 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 ttpt -93.94 103.01 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.67 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 t -58.58 133.86 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -49.01 126.18 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.8 -24.25 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.338 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.64 -3.32 58.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -82.71 -33.55 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.63 -42.89 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -96.81 78.69 2.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.768 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CE1' HG21 ' A' ' 37' ' ' VAL . 5.6 p80 -72.69 159.62 84.89 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 109.752 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 20.6 Cg_exo -64.54 132.16 32.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.317 3.345 . . . . 0.0 109.619 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 35' ' ' HIS . 5.2 t -135.06 110.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.23 39.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.99 48.99 64.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.53 103.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.4 mt-10 -31.99 126.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.54 147.33 34.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -136.32 23.44 3.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -91.15 169.71 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HD3' ' CG2' ' A' ' 48' ' ' THR . 0.1 OUTLIER -37.23 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.54 -47.9 83.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.56 -84.45 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.97 167.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.41 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.62 120.52 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.03 -14.97 13.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -120.07 -139.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.479 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 60.0 m-70 -62.2 74.16 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.764 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.6 p-10 -106.0 24.5 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -106.87 123.58 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -130.76 58.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -113.74 171.21 7.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.49 80.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.99 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.39 129.43 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 14.3 pttt -122.1 27.48 8.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 37.6 t -69.53 176.99 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.044 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -65.15 -11.99 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 -14.67 43.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.49 119.45 12.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.0 t80 -66.83 -52.91 38.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.829 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.799 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.2 t80 -75.59 -0.63 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.824 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 15.2 t60 -98.82 -10.28 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.479 ' CG1' ' CE1' ' A' ' 52' ' ' HIS . 24.7 m -110.14 17.97 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.626 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.88 25.81 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.799 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -152.18 -72.02 0.15 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.79 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -40.22 155.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.44 3.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.68 2.29 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.3 p -71.61 165.27 24.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -40.37 96.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -114.05 156.77 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -64.5 158.6 23.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.407 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -117.45 -95.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.8 m -152.28 -47.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.342 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.571 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 49.5 t -71.81 -32.93 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.9 -71.48 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.9 t -44.04 -46.63 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -60.08 -37.07 78.8 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.764 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 54.9 t -67.52 -32.97 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.8 -21.83 34.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 64.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -58.82 -16.45 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.63 17.85 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.15 -43.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 mt -78.52 -47.28 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 49.9 p -104.84 -2.72 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.32 158.94 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 22.6 m -105.54 -40.76 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 7.5 tppt? -123.57 128.92 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 89.38 -4.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.4 t -68.46 155.05 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.39 -39.83 70.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.5 m -69.92 -59.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.44 62.21 0.85 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.739 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.348 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.059 0.933 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.28 178.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.47 141.91 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.02 29.17 2.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.5 123.99 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.53 145.91 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.0 mtp -111.63 113.1 25.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.5 pt-20 -140.71 54.66 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.13 -24.69 34.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -104.82 -159.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.1 mtmt -90.23 13.29 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -135.91 88.91 21.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.39 129.53 20.44 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 124.326 3.351 . . . . 0.0 109.601 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.78 120.86 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.03 152.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.35 117.09 4.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.62 134.07 44.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -63.23 -22.69 67.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.74 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -65.66 -33.76 76.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 p -86.47 0.15 54.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -147.16 50.02 1.1 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.801 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.77 0.17 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.6 m -107.51 26.95 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.5 t -134.23 142.21 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -58.24 131.53 50.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.15 -24.91 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.74 60.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.4 -34.45 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.95 -45.87 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.93 84.31 5.33 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.745 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 p80 -82.06 157.54 68.48 Favored Pre-proline 0 CA--C 1.54 0.576 0 O-C-N 124.127 0.892 . . . . 0.0 109.722 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.4 Cg_exo -64.2 140.42 71.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 ' CG2' ' HB2' ' A' ' 42' ' ' ASP . 3.4 t -136.49 -74.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -88.28 67.07 8.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ASN . . . 36.1 37.41 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.8 tttt -176.81 105.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.791 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.605 ' C ' ' O ' ' A' ' 40' ' ' LYS . 35.3 mt-10 -20.46 115.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.426 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 1.1 m-20 -94.52 149.53 21.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -135.29 24.31 3.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.803 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.1 mtt180 -91.97 168.95 11.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' ARG . 1.8 mptp? -37.54 140.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.8 m -60.89 -46.63 89.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.26 -85.18 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.32 167.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.373 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.64 122.07 30.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.79 -21.04 11.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -114.18 -139.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 62.7 m-70 -61.8 77.87 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.747 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.1 p-10 -108.09 24.77 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 124.39 51.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.2 mtt -132.47 58.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.75 -169.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.1 tptm -129.81 93.07 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 168.46 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.74 122.51 19.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.4 mttm -115.34 27.94 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.529 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 3.1 t -74.28 -174.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.33 -4.92 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -92.02 -11.61 35.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -71.45 117.21 6.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.5 t80 -65.71 -56.39 12.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.013 -0.594 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.789 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -72.86 -1.99 18.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.821 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 21.2 t60 -97.93 -11.06 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.472 ' C ' ' HG2' ' A' ' 69' ' ' MET . 28.1 m -109.8 20.47 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.593 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -155.68 29.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.1 m80 -153.61 -76.55 0.12 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.735 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.94 153.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -114.58 -10.79 12.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.51 44.79 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -115.8 166.17 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -113.82 156.87 23.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -64.88 158.15 25.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 p -114.64 -149.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -105.28 -40.42 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.554 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 74.4 t -80.58 -31.0 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.02 -71.7 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 8.2 t -43.95 -47.09 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.97 -36.14 72.17 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.801 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 78.5 t -69.87 -41.52 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.88 -2.31 26.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.4 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 97' ' ' LEU . 4.4 ttmm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.52 -17.08 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.57 15.68 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.67 -43.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 93' ' ' LYS . 12.5 mt -80.62 -45.75 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.7 p -108.3 3.65 23.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.24 157.62 18.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.02 -41.87 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 2.0 tptp -120.93 133.15 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 5.0 tptt 86.34 -7.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 26.4 t -65.9 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.6 -42.34 96.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.0 m -67.63 -56.89 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -107.46 65.37 0.65 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.042 0.925 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -43.83 162.24 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.317 3.345 . . . . 0.0 109.586 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.91 140.38 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.87 167.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.29 23.02 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.24 124.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.2 135.42 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.41 116.99 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -146.21 56.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.9 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -91.69 -156.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -91.11 24.48 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -150.17 105.36 3.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 88.9 Cg_endo -81.12 131.4 7.79 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.303 3.336 . . . . 0.0 109.632 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -135.85 113.16 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.92 149.85 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -151.41 118.51 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.408 ' O ' ' OG1' ' A' ' 24' ' ' THR . 5.8 m120 -96.53 135.51 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -66.76 -29.8 69.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -64.21 -34.54 78.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.934 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 15.8 p -84.35 5.16 28.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -151.17 51.27 0.84 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.765 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -20.59 14.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t -93.77 40.46 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -135.59 144.06 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.22 118.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.407 ' SG ' ' OH ' ' A' ' 43' ' ' TYR . 13.3 t -54.7 -20.5 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.59 14.2 62.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.6 -37.65 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.08 -47.95 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.22 78.55 4.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.787 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.491 ' CE1' HG21 ' A' ' 37' ' ' VAL . 3.6 p80 -71.67 159.97 83.95 Favored Pre-proline 0 CA--C 1.54 0.573 0 O-C-N 124.08 0.863 . . . . 0.0 109.708 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 23.0 Cg_exo -63.49 132.1 34.36 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.265 3.31 . . . . 0.0 109.601 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' A' ' 35' ' ' HIS . 11.4 t -138.1 122.99 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER 63.46 38.8 9.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.98 58.23 12.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.0 ttmm 171.62 102.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.5 mt-10 -28.72 127.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.13 147.57 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.407 ' OH ' ' SG ' ' A' ' 30' ' ' CYS . 15.4 m-85 -135.43 25.08 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.806 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.3 mtm180 -92.34 169.28 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ARG . 20.6 mttt -37.64 141.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.95 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.29 -85.43 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 54.33 166.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.386 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.56 120.44 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.66 -14.79 12.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -121.02 -139.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 59.1 m-70 -61.59 75.38 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.752 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.5 p-10 -105.34 23.63 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 t -111.01 124.52 52.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 mtt -129.26 57.47 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.65 169.71 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 2.4 tptp -123.7 92.04 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mtpt 164.28 -36.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.37 94.99 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -68.89 -119.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.5 m 84.85 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.13 -4.71 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -14.7 26.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.14 118.64 8.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.59 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.5 t80 -66.34 -54.09 28.62 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.006 -0.597 . . . . 0.0 109.804 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.806 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.9 t80 -74.79 -0.3 17.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.826 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 16.0 t60 -100.03 -7.49 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.446 ' C ' ' HG2' ' A' ' 69' ' ' MET . 30.6 m -113.42 18.06 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.59 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.96 26.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.806 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.99 -80.92 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.747 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.72 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.45 -8.98 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -88.01 45.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 p -118.29 165.25 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -40.61 93.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -118.11 150.2 39.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -60.23 157.3 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -111.88 -95.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.9 m -153.69 -47.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.545 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 56.1 t -71.18 -36.37 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.44 -69.69 1.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.7 t -44.25 -47.8 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -58.95 -36.46 74.83 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.771 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 97.4 t -67.22 -31.38 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.2 -22.56 28.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.85 -8.75 38.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.5 15.95 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -135.32 -44.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.9 mt -75.94 -41.19 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 53.0 p -109.07 2.22 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -52.96 159.86 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.8 m -106.19 -38.09 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 12.1 tptp -124.36 127.11 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.0 tptm 85.13 -1.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 t -63.2 159.88 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.72 -44.92 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.05 67.14 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.735 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.748 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.026 0.917 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.748 ' HD3' ' H3 ' ' A' ' 1' ' ' ALA . 33.5 Cg_endo -82.83 -162.72 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.309 3.339 . . . . 0.0 109.638 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -129.09 117.49 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -37.4 99.09 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 3' ' ' LYS . 48.6 Cg_exo -49.21 165.71 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.286 3.324 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.28 144.36 32.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.95 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.19 20.79 5.46 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.64 126.59 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.34 141.83 45.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.46 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 2.4 mtp -107.95 119.06 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -147.39 57.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.6 -36.16 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.497 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.7 p -91.06 -156.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.45 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 9.2 mttt -91.31 24.12 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.418 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.64 104.18 3.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.445 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 84.3 Cg_endo -80.73 131.97 8.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.6 t -136.73 116.99 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -83.19 150.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -153.1 116.79 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -102.46 126.25 49.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -54.07 -28.34 38.38 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -58.35 -42.87 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 64.9 p -77.2 -2.9 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -144.33 48.32 1.37 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.724 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -105.05 5.18 32.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 31.41 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -137.19 139.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -54.82 127.64 29.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.37 -25.07 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.03 -2.47 62.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -83.3 -37.54 23.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -102.11 -44.22 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -95.09 78.39 3.54 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.75 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.571 ' CE1' HG21 ' A' ' 37' ' ' VAL . 3.6 p80 -70.28 155.03 94.08 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 0.0 109.775 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -75.67 121.39 6.29 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.306 3.338 . . . . 0.0 109.604 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -114.85 148.76 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.9 m120 40.08 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.83 60.5 6.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' GLU . 15.7 ttpt 178.88 103.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.2 mt-10 -33.37 124.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' CB ' HG22 ' A' ' 37' ' ' VAL . 33.2 t70 -109.36 134.15 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -129.8 22.69 5.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.823 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.7 mtt180 -95.14 171.46 8.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' ARG . 5.2 mttp -37.59 136.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.49 -46.01 91.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -73.68 -84.6 0.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.74 167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.8 120.86 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.83 -24.06 9.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.127 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -107.94 -135.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.516 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 74.3 m-70 -64.94 86.09 0.05 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.744 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.61 -17.97 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -62.85 120.61 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.6 mtt -137.84 61.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -126.86 171.56 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.8 ttpm? -107.99 79.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 163.21 -80.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.89 128.62 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 61' ' ' SER . 6.3 mtmm -103.09 -137.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER 86.48 167.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -64.68 -30.7 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -29.58 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.98 114.65 3.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.9 t80 -65.64 -48.86 70.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -0.604 . . . . 0.0 109.812 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.1 t80 -78.64 -1.65 35.3 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.831 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 61' ' ' SER . 18.7 t60 -97.21 -11.62 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.572 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 16.9 m -106.16 15.67 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.565 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.068 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -155.29 -73.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.78 149.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 -14.53 13.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -87.61 46.48 1.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.408 HG23 ' NE2' ' A' ' 67' ' ' HIS . 21.3 p -116.64 165.19 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.05 92.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -112.28 157.17 21.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 157.94 31.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.4 p -115.52 -148.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 74.1 m -105.75 -40.11 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.251 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.55 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 73.1 t -80.56 -31.42 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.02 -71.23 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.402 ' HB2' HMC2 ' A' ' 110' ' ' HEC . 9.1 t -44.16 -46.43 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.69 -35.94 73.41 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.702 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.55 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 73.4 t -70.0 -42.33 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.12 -2.95 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.5 t -113.04 -58.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.4 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . . . -77.99 56.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.12 24.98 4.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 -30.25 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.61 151.27 49.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -98.42 29.21 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.74 -61.65 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.47 ' HD2' ' CD1' ' A' ' 97' ' ' LEU . 4.6 ttmm -62.6 -23.85 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.468 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.47 -17.14 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.76 15.99 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -129.96 -43.65 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.527 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 11.1 mt -80.27 -46.51 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.468 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.6 p -107.04 3.02 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.43 154.77 25.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.442 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 54.7 m -98.71 -44.38 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.8 tptp -118.95 133.97 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 86.49 -8.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.7 t -65.91 158.77 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.1 OUTLIER -60.68 -41.31 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.81 -60.17 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -101.58 62.73 0.94 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.72 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.55 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.572 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.504 HMC1 ' CBC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.527 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.449 ' H3 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 122.092 0.948 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.449 ' HD3' ' H3 ' ' A' ' 1' ' ' ALA . 37.3 Cg_endo -82.07 155.42 17.27 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.31 3.34 . . . . 0.0 109.582 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -83.75 153.05 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.32 135.35 2.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.93 176.89 9.45 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.92 147.94 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.24 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 17.83 6.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.35 120.88 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.97 139.79 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.457 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 1.6 mtp -105.55 119.57 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.473 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -147.7 58.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.01 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.492 HG22 ' CGD' ' A' ' 111' ' ' HEC . 4.0 p -93.26 -156.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.0 mtmt -91.04 22.89 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.87 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.331 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 83.5 Cg_endo -80.72 130.64 7.8 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.325 3.35 . . . . 0.0 109.548 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.12 117.87 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -83.61 149.24 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -154.33 116.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -100.69 131.54 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.72 -31.47 69.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.757 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -56.51 -41.05 76.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 75.3 p -81.01 1.26 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.3 49.76 1.1 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.776 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.42 -11.49 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 31.43 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 t -136.83 134.49 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.03 129.42 30.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.45 -25.6 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 108.245 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.01 -3.2 67.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.27 -32.15 29.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -108.73 -45.55 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -93.92 75.36 4.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.781 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.536 ' CE1' HG21 ' A' ' 37' ' ' VAL . 5.8 p80 -69.74 159.1 85.26 Favored Pre-proline 0 CA--C 1.539 0.553 0 O-C-N 124.131 0.894 . . . . 0.0 109.762 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.3 Cg_exo -65.88 128.69 20.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.322 3.348 . . . . 0.0 109.589 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.536 HG21 ' CE1' ' A' ' 35' ' ' HIS . 2.9 t -129.71 119.16 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 62.52 41.52 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.83 56.54 20.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp 176.46 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.1 mt-10 -31.87 129.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -113.43 139.1 49.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.07 20.69 4.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.814 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.4 mtt180 -88.82 171.1 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ARG . 16.6 mttt -39.77 123.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 m -43.27 -41.65 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.17 -94.18 0.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 56.46 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.15 119.86 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.92 -11.1 8.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.6 m -133.27 -138.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 70.5 m-70 -60.58 87.38 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -104.42 -17.61 14.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.53 124.64 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.1 mtt -141.81 63.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -137.46 -172.1 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -118.46 90.26 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 4.2 mttt 170.08 -73.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.31 126.65 28.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.7 mtmt -117.19 9.96 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -58.89 169.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.24 -31.62 44.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -30.83 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.03 116.11 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.4 t80 -69.81 -41.17 75.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.997 -0.601 . . . . 0.0 109.838 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.788 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -85.3 -2.81 58.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.847 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.453 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 14.8 t60 -96.08 -11.32 26.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.547 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 17.3 m -105.77 16.08 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.542 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.38 30.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.788 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 77.8 m80 -155.38 -75.08 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.79 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 78' ' ' SER . 0.3 OUTLIER -44.68 155.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -8.89 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.18 50.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.9 p -118.45 165.4 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.02 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.12 169.0 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -74.2 158.62 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 71' ' ' ASP . 0.9 OUTLIER -120.22 -154.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.8 m -95.78 -52.33 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 108.286 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.563 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 83.7 t -72.92 -28.96 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.22 -73.33 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.425 ' HB2' HMC3 ' A' ' 110' ' ' HEC . 8.5 t -43.4 -49.34 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -55.31 -37.65 67.65 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.774 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 58.1 t -70.41 -39.68 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.74 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.9 t -98.99 -54.65 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -85.59 166.47 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.29 67.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -123.98 150.99 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.7 27.26 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.27 -70.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -55.21 -29.14 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.13 -8.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -115.14 15.76 17.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HB3' ' CE ' ' A' ' 104' ' ' LYS . 43.0 m-20 -136.67 -46.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 17.2 mt -70.65 -43.28 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 76.3 p -100.74 -4.97 27.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -66.36 159.3 47.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 0.0 OUTLIER -109.94 -75.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 122.02 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt 60.75 41.46 14.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -105.63 -172.74 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 53.8 mmtt -91.37 30.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 104' ' ' LYS . 96.4 m -152.19 -62.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 96.8 m-70 -99.44 59.03 1.1 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.797 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.562 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.547 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.516 ' CBC' HMC2 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.504 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.544 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 122.045 0.926 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 39.3 Cg_endo -83.67 -161.81 0.15 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 0.0 109.574 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' ALA . 8.2 mtpm? -110.71 154.6 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -39.6 127.02 1.46 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.28 177.73 8.4 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 0.0 109.587 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.69 145.38 25.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.23 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.91 21.28 5.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -103.99 130.79 51.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -139.82 137.43 34.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.46 ' CE ' ' O1D' ' A' ' 108' ' ' HEC . 2.5 mtp -105.95 115.01 29.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 7.1 pt-20 -144.24 55.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.91 29.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.488 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.5 p -97.03 -157.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 20.8 mttt -90.79 22.51 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -149.03 104.14 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.433 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.8 Cg_endo -80.61 132.43 8.86 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.37 3.38 . . . . 0.0 109.586 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.13 120.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -87.67 149.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -155.13 115.53 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -98.37 131.82 44.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -59.61 -23.08 62.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.798 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.4 p -65.44 -36.29 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 69.2 p -83.99 -0.72 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -146.17 48.83 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.778 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 1.6 29.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.22 28.12 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.47 138.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 130.22 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -55.01 -26.78 39.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.305 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.51 -3.07 57.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -83.01 -35.82 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.462 ' O ' ' CBB' ' A' ' 109' ' ' HEC . 1.3 m -104.51 -44.41 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -95.96 77.42 3.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.788 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.448 ' CE1' ' CG2' ' A' ' 37' ' ' VAL . 8.4 p80 -70.38 154.79 94.24 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 124.12 0.888 . . . . 0.0 109.805 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.41 120.18 5.83 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 0.0 109.608 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.448 ' CG2' ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -119.12 145.47 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.61 25.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.99 60.15 6.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.1 tttp 176.69 102.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' LYS . 31.5 mt-10 -35.26 123.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 40' ' ' LYS . 3.3 m-20 -112.48 133.48 54.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.55 20.54 8.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -86.49 170.37 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' CYS . 25.8 mttp -40.29 119.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LYS . 64.2 m -41.18 -39.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.84 -92.61 0.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 54.87 150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 0.729 . . . . 0.0 110.394 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.23 120.26 16.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.05 -15.78 8.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 9.5 m -125.99 -136.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.494 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 75.5 m-70 -61.71 88.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.77 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.37 -16.66 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -62.73 123.65 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.2 mtt -140.73 62.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -130.35 -166.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -124.43 89.18 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 14.8 mtpt 165.61 -74.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.52 130.13 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -120.89 11.63 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 t -59.32 169.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.84 -29.03 59.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.8 115.79 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.18 -43.32 74.44 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.007 -0.597 . . . . 0.0 109.793 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.6 t80 -84.38 -0.91 54.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.875 -0.583 . . . . 0.0 109.812 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.0 t60 -97.29 -11.45 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.59 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 17.1 m -106.07 14.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.0 30.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.1 m80 -156.95 -73.05 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.41 151.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.63 -17.47 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.58 48.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.3 p -116.9 165.47 13.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -40.38 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.07 160.72 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -67.01 158.09 31.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 p -116.39 -149.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.5 m -104.9 -41.25 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.555 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 73.7 t -80.47 -30.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.32 -72.01 0.65 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.412 ' HB2' HMC1 ' A' ' 110' ' ' HEC . 11.4 t -43.55 -47.84 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.63 -37.24 70.47 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.731 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 78.7 t -70.63 -40.58 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.09 -4.91 41.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -105.15 -57.41 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -77.63 165.69 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.6 -36.97 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.93 -24.54 58.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 93' ' ' LYS . 26.9 t0 -120.95 134.42 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -68.91 -64.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.99 -50.24 5.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 7.9 ttmm -56.92 -37.84 72.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -76.42 -1.43 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 1.19 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -116.81 -31.51 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.536 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 35.8 mt -90.84 -43.5 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -107.79 1.39 22.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.02 159.1 4.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.419 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 36.8 m -104.86 -42.76 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 26.5 tptt -125.63 127.83 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 90.62 7.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 48.0 t -84.21 160.11 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.0 OUTLIER -57.41 -39.34 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.9 m -70.68 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -97.78 60.79 1.54 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.501 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.59 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.508 ' CBC' HMC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.536 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.108 0.956 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.417 ' O ' ' CMB' ' A' ' 108' ' ' HEC . 38.6 Cg_endo -85.21 62.9 5.97 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.338 3.359 . . . . 0.0 109.585 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -40.35 135.23 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 143.52 75.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.29 177.43 8.77 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -85.31 147.92 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.16 168.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 15.05 7.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.12 123.34 45.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.55 142.43 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 2.4 mtp -109.63 120.86 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -148.83 59.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.61 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -101.66 -156.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 5.2 mttt -91.81 27.31 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.545 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.2 OUTLIER -155.78 104.79 2.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 97.7 Cg_endo -78.96 134.2 11.66 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.29 3.327 . . . . 0.0 109.629 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.67 112.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.78 150.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.85 116.74 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -99.85 131.6 45.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -58.81 -27.49 65.11 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.828 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -60.5 -39.82 89.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 68.0 p -80.97 0.79 33.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -146.71 49.44 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.775 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -106.03 2.84 27.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -111.61 29.6 7.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -136.26 137.41 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.87 127.16 24.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.94 -25.18 19.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 108.301 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.0 -3.77 65.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -82.12 -36.18 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -103.84 -43.03 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -97.05 78.07 2.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.595 ' CE1' HG23 ' A' ' 37' ' ' VAL . 3.8 p80 -68.86 154.66 94.62 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.156 0.91 . . . . 0.0 109.781 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -75.87 120.91 5.97 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.345 3.363 . . . . 0.0 109.609 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.595 HG23 ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.68 147.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 39.97 33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.98 58.59 12.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.5 ttmt -178.1 102.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.7 mt-10 -34.91 124.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.92 136.42 49.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.14 22.86 4.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.806 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.4 mtt180 -95.0 173.15 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.7 OUTLIER -37.63 136.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.65 -44.7 96.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.47 -85.02 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.17 167.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.76 121.83 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.52 -24.4 9.75 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.7 m -108.34 -137.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.494 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 68.0 m-70 -63.08 78.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.77 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -106.29 23.97 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -110.81 121.29 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.2 mtt -127.46 56.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -107.78 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.6 tttp -116.06 82.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 6.8 mttt 165.48 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -39.61 128.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.1 mtmp? -112.91 23.11 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -72.95 159.17 34.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.572 ' CB ' ' CBD' ' A' ' 109' ' ' HEC . . . -52.78 -32.32 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -26.08 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.01 117.35 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.555 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.2 t80 -66.11 -50.86 62.57 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.978 -0.611 . . . . 0.0 109.821 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.803 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.4 t80 -77.82 0.0 25.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.6 t60 -98.77 -10.43 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.575 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 18.9 m -108.98 16.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.555 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.803 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.9 m80 -156.06 -72.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.749 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.39 149.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -110.5 -15.83 13.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.21 47.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.9 p -115.8 166.25 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -41.16 96.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 11.0 m-85 -110.9 165.5 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -71.21 157.75 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -115.72 -155.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.8 m -105.95 -37.37 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 67.1 t -88.07 -7.96 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -83.93 -70.86 1.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 52.6 t -45.9 -38.2 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.45 -37.1 79.89 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.761 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 64.4 t -72.67 -32.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.32 -4.94 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 71.7 t -92.12 -57.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.67 172.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.37 -50.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.36 -32.05 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -76.74 83.18 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -52.93 -48.99 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.91 -49.29 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 5.4 mtpp -59.49 -32.56 70.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -72.65 -5.13 35.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -122.39 -1.16 9.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.71 -30.25 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.547 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 1.6 mt -90.31 -42.55 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -105.45 -1.72 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.17 156.23 1.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 29.6 m -103.4 -42.68 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.4 tppt? -127.0 129.83 48.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 10.0 ttpt 90.32 -1.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 43.5 t -75.98 158.94 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.488 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.0 OUTLIER -54.7 -36.62 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.7 m -74.89 -61.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -103.96 64.58 0.79 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.731 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.532 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.575 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.488 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.547 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 122.089 0.947 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -91.87 110.86 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.303 3.335 . . . . 0.0 109.593 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -51.02 -179.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.61 143.69 27.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.51 177.58 8.2 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -88.6 150.02 23.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.3 m-20 -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.33 7.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.03 120.58 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.79 139.13 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.484 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -105.8 116.38 31.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -144.13 55.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -103.97 -157.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.432 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 13.4 mtmt -91.14 29.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.2 OUTLIER -157.23 104.35 1.87 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.46 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 95.8 Cg_endo -78.7 129.51 9.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.303 3.335 . . . . 0.0 109.622 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.32 112.07 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.92 149.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -153.03 116.29 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.11 129.18 46.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 25.7 m80 -58.99 -19.7 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.749 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -64.89 -43.98 91.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.2 p -77.62 -2.4 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -142.5 47.35 1.58 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.79 3.7 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.29 31.05 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -136.12 144.13 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -58.46 126.12 26.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.06 -24.16 23.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.81 -2.3 64.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.65 -37.78 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.2 m -100.99 -45.61 5.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.36 77.11 3.92 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.763 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -68.86 154.66 94.63 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.199 0.937 . . . . 0.0 109.775 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.83 118.2 5.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.316 3.344 . . . . 0.0 109.633 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' C ' ' N ' ' A' ' 39' ' ' GLY . 1.4 t -114.68 147.51 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 43.14 28.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.94 58.5 9.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.2 tttp -179.81 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.8 mt-10 -34.84 124.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' CB ' HG22 ' A' ' 37' ' ' VAL . 11.5 t70 -110.76 138.62 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -130.08 13.64 5.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.57 176.89 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.239 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -46.74 133.49 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.2 -27.41 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 52' ' ' HIS . . . -116.63 49.17 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.81 148.23 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 130.19 14.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . . . 97.46 14.44 41.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 50' ' ' GLY . 24.0 m -150.98 -133.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.455 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 80.9 m-70 -69.52 91.5 0.58 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.793 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 17.89 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -91.26 115.13 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.73 59.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -139.47 -167.49 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.69 89.01 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 7.0 mttt 170.23 -74.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 -40.37 130.99 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.29 3.68 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 178.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.519 ' CB ' ' O1A' ' A' ' 109' ' ' HEC . . . -62.09 -14.7 39.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -70.81 -35.5 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.58 121.97 1.98 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.2 t80 -78.71 -41.49 30.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.991 -0.605 . . . . 0.0 109.834 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.742 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -85.91 -5.5 59.22 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.871 -0.585 . . . . 0.0 109.824 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -94.0 -10.75 32.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.559 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.584 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 20.9 m -105.83 16.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.55 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.46 34.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.742 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.3 m80 -156.54 -63.58 0.1 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.7 170.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 74' ' ' THR . 4.8 pttt -126.94 -44.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -45.45 -26.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.428 ' N ' ' C ' ' A' ' 72' ' ' LYS . 20.8 p -40.91 162.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -37.3 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -114.54 165.68 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.09 158.14 36.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 p -113.83 -149.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 69.8 m -106.06 -37.26 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 91.2 t -82.16 -34.1 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -54.65 -71.07 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.405 ' HB2' HMC2 ' A' ' 110' ' ' HEC . 8.9 t -43.95 -47.74 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.36 -35.98 70.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 82.6 t -70.29 -35.86 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.45 -11.22 59.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.8 t -104.71 -56.85 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . . . -78.19 55.78 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.85 25.64 4.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.28 -32.92 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 0.764 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -126.63 148.73 49.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.26 24.35 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.5 -66.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -26.4 52.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.443 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.93 -17.9 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.11 17.2 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -43.71 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 13.6 mt -79.78 -45.58 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.443 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.8 p -108.02 1.87 22.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.02 150.86 45.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.587 1.179 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.439 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 73.6 m -93.39 -47.32 6.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 136.39 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 81.03 -3.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 24.4 t -70.53 153.72 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.9 OUTLIER -57.95 -41.91 83.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.3 m -68.06 -59.26 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.429 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 91.8 m-70 -105.96 64.61 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.766 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.551 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.584 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.513 HMC1 ' CBC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.544 ' O2D' ' CE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 122.079 0.942 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.73 130.76 12.7 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.352 3.368 . . . . 0.0 109.583 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -168.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -112.85 90.5 15.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.5 Cg_exo -40.08 161.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.287 3.325 . . . . 0.0 109.637 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.48 146.95 46.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.29 167.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.04 29.46 2.17 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.94 121.81 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.463 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.76 144.79 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.465 ' CE ' ' O1D' ' A' ' 108' ' ' HEC . 1.7 mtp -111.59 118.11 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -146.51 57.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.28 -36.19 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -91.99 -157.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 20.5 mtpt -90.5 30.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.16 103.89 2.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 96.8 Cg_endo -80.46 130.12 7.81 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.31 3.34 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.7 t -135.23 115.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.239 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -84.14 146.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -147.37 116.53 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.4 ' O ' ' OG1' ' A' ' 24' ' ' THR . 3.7 m-80 -95.55 133.31 39.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -65.22 -28.7 69.55 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.767 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.3 p -62.72 -37.67 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 23.5 p -82.05 2.19 32.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -147.33 48.84 1.11 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -11.21 17.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p -93.76 23.9 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.58 137.04 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.63 132.17 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.2 m -54.73 -25.25 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.74 -2.32 60.59 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' OD2' ' CBC' ' A' ' 110' ' ' HEC . 9.7 t70 -83.34 -33.94 25.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.45 ' O ' ' CBB' ' A' ' 109' ' ' HEC . 1.3 m -107.68 -44.41 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -94.33 81.66 4.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.552 ' CE1' HG23 ' A' ' 37' ' ' VAL . 8.8 p80 -80.39 157.44 72.78 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.192 0.933 . . . . 0.0 109.74 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.5 Cg_exo -65.63 136.05 44.5 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.336 3.358 . . . . 0.0 109.573 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.552 HG23 ' CE1' ' A' ' 35' ' ' HIS . 3.4 t -135.8 -76.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.62 66.25 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 29.5 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.83 135.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.9 mt-10 -35.74 119.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.22 144.22 29.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 9.4 m-85 -131.66 24.44 4.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -91.11 168.92 11.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' ARG . 31.2 mttt -39.27 130.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.9 m -49.89 -41.42 45.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 108.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.61 -93.14 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.524 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.17 150.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.409 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.92 119.95 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.88 -9.83 9.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.3 m -133.52 -139.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 63.1 m-70 -61.3 76.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.9 p-10 -106.52 23.38 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -109.0 124.49 50.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.1 mtt -128.82 57.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.56 -166.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.544 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 3.4 tptp -143.57 97.81 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 13.7 tttm 164.39 -41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -87.75 118.66 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.73 48.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 6.5 t -95.59 178.94 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -74.65 -5.51 43.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -91.41 -4.33 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.083 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.76 121.81 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.601 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -70.97 -52.76 17.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.846 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.812 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.6 t80 -77.66 0.89 21.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.452 ' ND1' ' OD2' ' A' ' 71' ' ' ASP . 15.2 t60 -99.76 -9.32 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.545 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 28.5 m -111.57 16.33 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.601 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.44 26.91 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.812 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -154.6 -70.44 0.13 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.787 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 2.6 m-20 -45.88 152.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -118.0 -4.38 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -97.2 49.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 p -119.82 164.43 16.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -62.88 -39.64 95.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.66 159.47 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 159.73 32.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.97 -148.22 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 75.8 m -102.7 -49.72 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 82.7 t -75.34 -28.11 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -58.06 -72.18 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.419 ' HB2' HMC2 ' A' ' 110' ' ' HEC . 14.9 t -43.66 -48.91 7.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.45 -37.11 64.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.744 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 69.0 t -73.06 -34.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.74 -4.13 57.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' A' ' 87' ' ' ALA . 55.8 t -90.52 -52.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 86' ' ' VAL . . . -45.33 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.46 -61.35 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.49 28.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -99.32 126.8 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.8 23.72 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.63 -55.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -64.25 -28.84 70.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -78.22 -1.15 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -123.68 -1.29 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.48 -27.54 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.529 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 2.8 mt -94.17 -42.41 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.0 p -106.09 -0.69 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.71 155.97 3.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.3 m -101.28 -42.7 6.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.1 tptp -125.76 133.83 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 87.73 -6.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 47.7 t -70.42 158.51 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.489 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.3 OUTLIER -56.15 -36.41 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.8 -65.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -98.93 60.96 1.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.766 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.531 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.545 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.512 HMC1 ' CBC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.529 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 122.048 0.928 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.83 -19.27 31.23 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.314 3.343 . . . . 0.0 109.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 62.46 137.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.12 121.3 23.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.49 177.57 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.294 3.33 . . . . 0.0 109.623 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -86.89 144.84 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.46 43.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' CD1' HAD1 ' A' ' 108' ' ' HEC . 0.3 OUTLIER -131.55 132.45 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' CB ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.72 134.64 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.47 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.4 OUTLIER -108.23 82.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.5 pt-20 -118.22 38.47 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.9 -18.23 64.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -110.97 -158.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 1.3 mtmt -91.99 27.32 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mp0 -150.0 89.18 4.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.464 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 16.0 Cg_exo -68.2 115.58 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.326 3.351 . . . . 0.0 109.599 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.0 t -131.72 114.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -88.52 146.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.618 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -141.92 116.55 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.14 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -66.92 -32.86 74.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.761 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -56.08 -38.67 70.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -80.9 -1.32 42.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -149.52 50.59 0.94 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.766 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -16.31 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -91.21 32.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 t -138.78 138.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 136.46 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -58.49 -24.99 61.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.2 -4.62 68.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.51 -32.78 28.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.2 m -108.29 -49.13 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -90.42 77.23 6.58 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.765 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.5 ' CE1' HG21 ' A' ' 37' ' ' VAL . 4.8 p80 -68.94 158.94 84.91 Favored Pre-proline 0 CA--C 1.539 0.555 0 O-C-N 124.199 0.937 . . . . 0.0 109.763 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.9 Cg_exo -64.01 129.95 26.01 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.273 3.316 . . . . 0.0 109.64 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.5 HG21 ' CE1' ' A' ' 35' ' ' HIS . 4.4 t -132.4 111.46 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.55 40.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.89 44.68 71.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -171.28 103.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' LYS . 38.5 mt-10 -33.34 127.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.59 147.23 40.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.95 20.72 3.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.821 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.42 168.13 16.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ARG . 10.9 mttt -39.58 126.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.27 -43.03 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.261 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -83.74 -94.32 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.56 150.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 122.8 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.82 -6.74 13.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 m -138.73 -140.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 58.0 m-70 -60.24 81.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -113.49 26.39 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -103.61 121.03 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.4 mtt -132.97 58.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -126.31 171.43 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 35.0 tttm -110.23 79.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 3.4 mmtm 163.82 -77.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t0 -39.78 119.78 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -97.01 -141.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER 86.83 173.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -71.25 -15.09 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.02 -33.69 76.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.75 123.3 6.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.615 ' CE2' ' O1D' ' A' ' 111' ' ' HEC . 2.4 t80 -71.82 -49.39 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.017 -0.591 . . . . 0.0 109.79 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 66' ' ' TYR . 2.1 p90 -78.76 -8.9 59.19 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.821 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.441 ' NE2' ' O2A' ' A' ' 109' ' ' HEC . 14.0 t60 -89.04 -8.82 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.543 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 29.3 m -111.2 21.41 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.12 28.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 79.3 m80 -147.71 -74.57 0.19 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.795 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -54.42 158.6 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -112.83 -34.32 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -47.61 -26.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.1 p -44.12 165.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -39.7 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -110.15 169.3 8.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.53 158.42 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.2 p -118.95 -174.03 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.2 m -79.28 -41.45 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.554 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 65.2 t -79.32 -36.15 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -50.57 -70.24 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 2.7 t -44.87 -49.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' ALA . 12.4 m170 -57.6 -33.95 68.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.803 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 88.0 t -70.84 -33.52 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.88 -3.73 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.1 t -113.36 -58.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' A' ' 83' ' ' HIS . . . -70.13 61.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.83 21.08 4.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.57 -27.87 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 93' ' ' LYS . 10.6 t70 -123.88 162.12 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -86.48 -69.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -44.29 -47.24 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.423 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -53.56 -35.05 60.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.5 -1.47 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -117.57 3.67 12.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.73 -28.02 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.518 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 25.1 mt -96.64 -44.37 7.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.1 p -107.4 2.83 24.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.19 154.04 53.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.47 -47.6 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 144.61 35.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.31 7.55 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.3 t -80.06 150.77 30.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.483 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.7 OUTLIER -54.76 -43.92 73.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 m -67.24 -59.71 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.588 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 98.8 m-70 -101.5 62.04 0.93 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.776 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.556 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.543 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.483 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.615 ' O1D' ' CE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.882 ' H1 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 122.097 0.951 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.882 ' HD3' ' H1 ' ' A' ' 1' ' ' ALA . 34.9 Cg_endo -83.62 149.88 12.9 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.363 3.375 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 mtmm -81.75 165.42 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -113.31 87.63 11.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ALA . 88.1 Cg_exo -41.0 163.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.327 3.352 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.2 146.38 29.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.91 167.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.52 18.18 5.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.39 126.38 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.9 140.96 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.471 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 2.6 mtp -103.22 120.66 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -148.55 58.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.76 -35.57 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -93.02 -156.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.42 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 1.2 mtpt -91.13 28.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -153.56 103.52 2.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 87.3 Cg_endo -81.07 131.1 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.309 3.339 . . . . 0.0 109.609 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 71.4 t -136.07 118.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -81.97 150.39 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -152.44 117.5 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.7 m-80 -103.0 131.27 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -60.61 -29.5 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.754 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 p -57.2 -44.0 83.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 57.5 p -75.94 -4.04 38.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -143.11 47.68 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.784 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -104.58 2.1 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 29.79 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.078 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -135.05 140.63 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 127.81 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.6 -24.66 22.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.76 -3.74 68.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -82.07 -34.89 29.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -105.85 -44.24 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -94.93 78.09 3.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.787 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.579 ' CE1' HG21 ' A' ' 37' ' ' VAL . 4.2 p80 -69.59 154.82 94.47 Favored Pre-proline 0 CA--C 1.539 0.539 0 O-C-N 124.146 0.903 . . . . 0.0 109.777 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.91 121.68 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 0.0 109.633 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.579 HG21 ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -115.22 148.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 41.19 29.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.64 60.8 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.58 104.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.6 mt-10 -33.16 123.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' CB ' HG22 ' A' ' 37' ' ' VAL . 9.8 t70 -107.6 134.63 50.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 2' ' ' PRO . 10.7 m-85 -131.39 19.38 4.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.845 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' LYS . 46.5 mtm180 -92.8 172.51 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -37.17 136.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.08 -45.93 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.31 -84.47 0.31 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.02 168.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.395 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.58 122.57 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.88 -22.98 11.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -110.76 -138.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 65.3 m-70 -62.26 81.32 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.757 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -112.06 27.29 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -112.47 117.65 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mtt -125.15 55.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -111.18 172.14 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -110.35 80.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 1.7 mttt 171.44 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t0 -40.21 131.26 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.6 mtpp -125.35 22.72 7.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -72.66 -179.4 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -69.41 -8.41 46.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -11.79 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.81 115.38 5.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.589 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.9 t80 -63.57 -54.88 29.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.846 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.81 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.1 t80 -73.17 -1.82 19.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.846 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 19.0 t60 -97.49 -12.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.579 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 20.2 m -107.93 18.87 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.589 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.15 27.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.81 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 78.8 m80 -153.18 -80.41 0.1 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.717 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.94 154.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -5.48 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -90.23 41.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -114.89 165.98 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.96 91.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -118.28 153.17 34.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -61.71 159.36 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -115.54 -95.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 86.3 m -153.13 -47.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.259 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.553 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 55.9 t -72.82 -32.7 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.34 -70.23 1.02 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.7 t -44.4 -48.15 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.82 -35.89 71.5 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.772 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 69.9 t -71.85 -33.01 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 2.0 tt0 -82.87 -8.15 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.0 t -108.99 -57.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.437 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -75.37 57.47 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.21 24.92 4.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.11 -32.09 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -127.34 147.96 50.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.22 25.94 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.29 -63.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -25.84 63.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.73 -18.05 7.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.41 18.72 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -134.8 -43.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.486 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 16.0 mt -78.69 -47.08 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 55.1 p -104.76 -1.27 26.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.97 2.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.475 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 18.8 m -103.12 -40.45 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.3 pttt -123.06 131.4 53.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER 87.42 -6.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' GLU . 13.7 t -66.54 151.34 47.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.2 OUTLIER -52.41 -42.31 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 64.7 m -66.63 -54.64 21.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 108.308 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -107.92 65.52 0.64 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.771 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.693 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.579 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.484 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.486 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 122.005 0.907 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.632 ' CG ' ' CE2' ' A' ' 43' ' ' TYR . 43.4 Cg_endo -61.07 -176.11 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.283 3.322 . . . . 0.0 109.627 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -118.26 122.54 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -40.49 102.45 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.498 ' HG2' ' C3A' ' A' ' 108' ' ' HEC . 25.7 Cg_exo -45.16 166.92 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.253 3.302 . . . . 0.0 109.603 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.79 128.5 33.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.68 165.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.96 24.22 4.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 129.75 55.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.11 132.64 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.441 ' CE ' ' O1D' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -95.56 116.9 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 4.6 pt-20 -147.14 56.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.25 30.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -90.93 -158.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 7.2 mttp -90.61 30.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.61 102.96 2.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 85.8 Cg_endo -81.08 130.14 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.349 3.366 . . . . 0.0 109.576 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.8 t -136.34 109.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -69.83 148.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.575 ' CD2' HBB2 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -155.76 113.05 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -105.9 134.7 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -60.81 -17.82 51.78 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -69.3 -39.2 78.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 70.4 p -74.66 -4.73 39.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -146.69 49.7 1.14 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.617 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -99.46 103.9 15.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.66 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.0 t -56.0 133.05 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 128.66 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.26 -24.5 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.36 -4.12 59.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -80.53 -31.46 37.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -111.82 -52.84 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.246 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -84.57 76.16 10.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.474 ' CE1' HG23 ' A' ' 37' ' ' VAL . 8.4 p80 -73.77 158.66 85.81 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 124.185 0.928 . . . . 0.0 109.745 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 19.8 Cg_exo -64.95 134.46 40.08 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.309 3.34 . . . . 0.0 109.59 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.52 ' CG1' ' CBC' ' A' ' 109' ' ' HEC . 3.3 t -133.37 -75.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.02 65.45 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.11 29.54 0.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.86 134.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.7 mt-10 -36.91 117.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.8 147.54 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.632 ' CE2' ' CG ' ' A' ' 2' ' ' PRO . 9.7 m-85 -129.02 21.68 5.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.862 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -85.03 163.42 18.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ARG . 9.5 mttm -39.81 133.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' SG ' ' O1D' ' A' ' 108' ' ' HEC . 23.8 m -48.2 -44.73 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.54 -93.81 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER 55.05 150.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 110.436 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.71 120.57 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -6.9 10.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -138.44 -139.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 62.8 m-70 -60.9 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.737 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 p-10 -109.72 25.1 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 t -103.67 122.23 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mtt -132.32 58.89 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -121.95 -167.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -130.11 90.79 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 mttt 170.88 -83.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.01 126.92 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 4.7 pttm -122.11 33.32 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.535 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 33.8 t -67.0 -167.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -70.63 -7.39 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -90.88 -12.92 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.03 121.8 14.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.6 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.2 t80 -70.92 -48.7 52.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.969 -0.616 . . . . 0.0 109.868 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.2 t80 -80.9 -0.66 40.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.902 -0.57 . . . . 0.0 109.862 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 13.8 t60 -99.22 -8.39 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.555 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.548 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 26.2 m -111.17 17.67 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.6 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.69 25.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.8 m80 -149.44 -61.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.731 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.467 ' OD2' ' CE1' ' A' ' 67' ' ' HIS . 5.7 m-20 -51.59 177.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' THR . 10.3 pttm -136.58 -46.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 74' ' ' THR . 1.7 m-20 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.411 ' O ' ' O ' ' A' ' 73' ' ' ASN . 22.2 p -41.69 164.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -40.54 91.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.46 163.5 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -68.9 157.98 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 p -119.85 -170.71 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 85.4 m -79.28 -46.38 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.349 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.574 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 55.4 t -74.89 -33.05 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.55 -72.34 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.0 t -43.78 -50.49 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.1 -36.23 67.94 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.753 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 61.3 t -70.98 -33.25 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.59 -19.99 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.5 t -92.13 -55.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -79.72 165.48 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.75 -35.41 2.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.96 -24.26 65.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -120.97 148.07 44.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 25.73 2.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.6 -70.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -26.48 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -68.08 -7.4 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -119.72 -0.48 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.53 -29.01 6.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.536 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 20.2 mt -92.09 -44.36 8.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 70.9 p -106.77 0.64 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.73 156.62 31.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.3 m -98.17 -46.01 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 142.8 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.66 5.59 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.7 t -78.97 151.53 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.1 OUTLIER -53.62 -42.38 67.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 41.3 m -68.09 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.31 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -100.12 61.85 1.1 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.761 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.588 ' CGD' ' CMD' ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.548 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.575 HBB2 ' CD2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.536 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 122.057 0.932 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' LYS . 37.0 Cg_endo -88.12 113.68 0.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.313 3.342 . . . . 0.0 109.605 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' O ' ' CMB' ' A' ' 108' ' ' HEC . 9.9 mmtt -61.87 -124.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -120.41 75.2 24.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 80.6 Cg_exo -40.53 162.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.261 3.307 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -84.66 179.14 7.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -44.17 167.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.32 -8.72 3.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.453 ' CD1' HAD1 ' A' ' 108' ' ' HEC . 0.3 OUTLIER -99.25 129.11 45.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 121.39 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.477 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.4 OUTLIER -94.63 86.19 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.0 pt-20 -122.92 42.15 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.02 -23.74 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.427 HG22 ' CGD' ' A' ' 111' ' ' HEC . 2.7 p -104.39 -159.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 9.8 mtmm -92.84 30.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.3 OUTLIER -155.55 91.6 2.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 23.4 Cg_exo -64.5 127.37 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 0.0 109.624 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 43.8 t -138.69 99.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -77.91 155.59 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -148.16 119.51 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -88.85 144.72 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -79.84 -28.69 40.04 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.782 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -68.47 -18.63 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -99.92 5.15 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -150.47 50.76 0.88 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.763 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -101.0 -21.17 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 37.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.6 t -135.1 144.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -47.78 119.83 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.6 t -54.88 -20.25 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.71 12.85 62.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.68 -38.19 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.19 -46.98 6.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -94.79 77.32 3.67 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.739 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.524 ' CE1' HG21 ' A' ' 37' ' ' VAL . 4.6 p80 -71.22 159.79 84.47 Favored Pre-proline 0 CA--C 1.539 0.557 0 O-C-N 124.124 0.89 . . . . 0.0 109.727 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.6 Cg_exo -64.17 130.63 27.75 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.341 3.36 . . . . 0.0 109.63 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.524 HG21 ' CE1' ' A' ' 35' ' ' HIS . 10.2 t -136.91 125.31 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.253 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.29 35.46 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.63 18.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 tttm 171.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 40' ' ' LYS . 14.1 mt-10 -29.25 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.2 145.8 39.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -132.86 23.87 4.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.791 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 mtm180 -91.51 169.1 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -37.64 141.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.6 m -61.06 -44.78 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -75.25 -85.89 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.435 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.57 167.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.433 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.98 121.47 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.77 -14.66 14.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 4.0 m -120.16 -139.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 64.9 m-70 -61.18 87.4 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.755 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -113.47 20.1 16.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -96.06 117.82 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.01 59.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -125.92 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -125.27 92.29 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 3.9 mttm 164.28 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.31 127.24 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 8.3 mttm -118.18 15.37 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.5 t -57.3 174.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.473 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.02 -31.54 51.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -32.25 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.37 116.51 3.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.5 t80 -69.28 -46.89 66.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.838 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.795 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -79.21 -2.98 43.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.777 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 60' ' ' LYS . 13.6 t60 -97.05 -10.05 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.54 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 17.3 m -107.39 15.24 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.557 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.18 26.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.795 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.5 m80 -150.32 -80.99 0.11 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.763 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -43.14 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -122.03 -1.02 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -92.13 43.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 67' ' ' HIS . 23.5 p -119.37 164.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.1 92.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 62.9 m-85 -112.51 144.7 41.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.8 157.27 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -111.1 -114.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 73.9 m -138.04 -48.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.545 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 54.8 t -73.33 -31.51 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.69 -70.31 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 6.9 t -43.9 -48.41 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.59 -37.28 70.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.8 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 86.7 t -69.47 -31.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.75 -10.57 55.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 87' ' ' ALA . 65.3 t -96.77 -49.87 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -37.5 -45.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.18 -87.93 0.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.46 19.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -84.44 73.57 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.87 -22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -73.76 -49.71 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HD2' ' CD1' ' A' ' 97' ' ' LEU . 6.5 ttmm -76.14 -21.19 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -60.95 -14.5 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 13.49 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.38 -42.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.522 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 8.6 mt -81.55 -51.63 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.7 p -101.57 -4.67 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.01 150.56 9.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 62.0 m -94.73 -44.54 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.6 tptp -115.48 131.92 56.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.1 tttt 87.8 -7.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 29.4 t -67.06 154.79 40.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.49 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 1.4 mptp? -59.56 -39.96 85.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.5 m -68.05 -55.46 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -109.82 65.73 0.62 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.728 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.591 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.54 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.495 HMC1 ' CBC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.552 ' C1A' ' OE1' ' A' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.646 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.088 0.947 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.646 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 33.1 Cg_endo -86.8 -161.7 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 4' ' ' ALA . 1.2 mtmm -124.96 102.63 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -36.4 98.32 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 3' ' ' LYS . 35.3 Cg_exo -58.39 160.95 15.22 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.334 . . . . 0.0 109.636 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -73.56 143.83 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.95 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.04 43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' CD1' HAD1 ' A' ' 108' ' ' HEC . 0.3 OUTLIER -129.89 132.82 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' CB ' HG21 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.98 133.69 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.459 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 6.1 mtp -105.88 95.91 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -128.83 46.97 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -17.88 60.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.505 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.2 p -112.22 -155.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 3.2 mttp -91.24 24.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -149.52 103.05 3.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.439 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 90.6 Cg_endo -83.35 110.16 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.261 3.307 . . . . 0.0 109.571 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 78.8 t -122.13 116.03 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.309 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.478 HG21 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.37 144.25 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.606 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -139.65 115.12 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -91.71 143.05 26.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -74.32 -26.91 60.45 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.764 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -69.58 -17.24 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 17.4 p -101.37 7.13 42.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -151.48 43.74 0.76 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.723 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.2 ptpp? -89.19 162.75 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.4 p 85.51 -47.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -51.1 132.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -53.55 122.82 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -52.93 -22.29 5.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.08 -5.29 70.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -80.0 -34.84 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' O ' ' CBB' ' A' ' 109' ' ' HEC . 1.3 m -107.09 -43.44 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.07 73.57 2.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' HG21 ' A' ' 37' ' ' VAL . 6.0 p80 -69.07 158.36 86.74 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.147 0.904 . . . . 0.0 109.784 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 16.8 Cg_exo -66.5 128.44 19.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.32 . . . . 0.0 109.591 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 35' ' ' HIS . 3.0 t -128.83 111.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.2 52.14 53.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.1 tttp -178.21 104.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 40' ' ' LYS . 15.5 mt-10 -32.67 127.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -111.54 133.89 53.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.15 17.27 7.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.96 172.66 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -40.93 123.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 m -42.68 -43.08 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.28 -93.76 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.507 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.76 151.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 123.58 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -8.87 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -136.15 -139.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.481 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 63.7 m-70 -59.75 81.62 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 52.4 t0 -115.45 27.97 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -106.12 118.08 35.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -131.52 58.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -122.35 -167.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.58 90.89 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER 167.96 -67.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 129.06 38.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -121.74 29.24 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.79 173.68 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.61 -29.39 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -63.83 -19.92 65.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.56 118.8 16.08 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.0 t80 -68.46 -49.09 62.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.951 -0.625 . . . . 0.0 109.794 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.814 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -78.47 -2.82 40.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.795 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.424 ' CE1' HG21 ' A' ' 74' ' ' THR . 13.6 t60 -96.98 -11.21 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.553 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 22.1 m -107.39 16.77 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.587 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.83 30.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.814 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 72.3 m80 -152.68 -74.4 0.14 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.39 151.56 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.4 -13.9 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -14.23 62.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.431 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 24.2 p -54.76 165.59 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 76' ' ' PHE . 25.9 tttp -64.87 -38.86 92.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.553 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.9 m-30 -107.99 162.83 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 157.7 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -121.72 -176.23 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.37 -46.1 28.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.546 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 55.2 t -77.52 -33.85 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.1 -70.58 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 3.2 t -44.22 -49.49 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -56.2 -35.02 66.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 86.3 t -74.45 -33.4 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.99 -16.26 50.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 87' ' ' ALA . 74.9 t -78.5 -56.47 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 86' ' ' VAL . . . -45.75 169.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.51 -53.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.1 22.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.77 81.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -49.01 -52.93 22.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -44.52 -47.01 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -32.24 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.5 -4.88 36.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -120.15 0.23 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ALA . 42.6 m-20 -117.95 -26.24 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.509 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 35.7 mt -96.83 -43.69 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 46.2 p -107.21 2.44 24.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.39 155.97 27.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.436 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 25.7 m -97.47 -41.37 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -125.79 135.93 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 87.68 -8.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 40.8 t -71.55 159.64 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.6 OUTLIER -58.73 -40.63 84.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.5 m -67.76 -61.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.313 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 87.5 m-70 -107.58 66.05 0.66 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.781 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.545 ' CHD' ' CE1' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.553 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.479 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.509 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.414 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 122.036 0.922 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 19.4 Cg_endo -56.16 147.17 66.95 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.306 3.337 . . . . 0.0 109.606 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.9 mmtt -136.72 50.28 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . 38.85 88.75 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 68.3 Cg_exo -40.29 162.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.34 3.36 . . . . 0.0 109.576 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -55.68 141.4 38.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.37 150.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 42.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.46 122.32 37.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.16 148.23 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.484 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 1.2 mtm -117.59 112.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 1.6 pt-20 -143.41 53.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -19.48 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.502 HG21 ' CGD' ' A' ' 111' ' ' HEC . 4.0 p -106.3 -158.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.9 mtpp -90.64 23.43 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -151.09 103.68 2.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 86.1 Cg_endo -80.67 126.96 6.17 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.284 3.323 . . . . 0.0 109.559 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.31 113.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -83.38 145.09 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -144.02 116.0 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.732 ' N ' HD21 ' A' ' 21' ' ' ASN . 0.8 OUTLIER -92.23 133.2 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -65.63 -28.31 69.02 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.752 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.0 p -64.96 -39.72 93.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 18.4 p -77.19 -2.4 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -144.29 46.98 1.41 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.773 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.07 -13.58 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -91.72 26.3 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -134.22 140.21 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.55 136.49 58.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -57.86 -25.84 61.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 108.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.1 -2.56 58.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -84.61 -36.74 21.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.43 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -103.63 -47.66 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -91.77 77.28 5.57 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.781 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.411 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 6.5 p80 -68.2 155.26 92.64 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.117 0.885 . . . . 0.0 109.78 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 35' ' ' HIS . 54.9 Cg_endo -74.69 118.72 5.42 Favored 'Trans proline' 0 N--CA 1.446 -1.301 0 C-N-CA 124.361 3.374 . . . . 0.0 109.593 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' C ' ' N ' ' A' ' 39' ' ' GLY . 1.5 t -115.25 147.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 44.1 27.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.36 57.79 10.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' GLU . 18.9 ttmt 179.46 103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.2 mt-10 -35.37 123.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -114.71 137.01 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.87 9.1 9.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.44 165.31 24.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -41.76 135.96 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.49 -29.27 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 52' ' ' HIS . . . -116.65 48.72 0.91 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.22 147.89 22.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.7 125.67 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 51' ' ' CYS . . . 101.74 15.47 26.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 50' ' ' GLY . 31.4 m -150.91 -131.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 62' ' ' ALA . 81.9 m-70 -71.95 88.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.788 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -105.05 -12.1 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 65' ' ' TYR . 2.1 t -63.9 120.97 12.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.4 mtt -142.46 63.25 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -138.26 -166.97 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 64.1 tttt -115.26 84.88 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.8 mmtp 163.81 -75.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 -40.13 113.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.6 mtpt -111.47 -10.46 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.7 m -43.7 166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' CB ' ' O2A' ' A' ' 109' ' ' HEC . . . -51.58 -23.14 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -30.5 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.4 118.35 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CE2' ' O1D' ' A' ' 111' ' ' HEC . 3.8 t80 -75.69 -36.55 60.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.01 -0.595 . . . . 0.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.649 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -91.74 -3.55 56.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.865 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 15.3 t60 -95.63 -11.71 26.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.571 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 31.2 m -104.26 14.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.538 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.73 34.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.4 m80 -158.33 -66.29 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.806 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -53.35 151.36 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 -27.62 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -23.7 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.412 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 24.5 p -41.75 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.77 91.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE2' ' O2D' ' A' ' 109' ' ' HEC . 23.3 m-85 -111.34 170.2 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -69.31 157.71 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.6 p -118.75 -175.22 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 70.9 m -79.91 -42.4 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.553 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 91.9 t -80.88 -32.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.5 -70.51 0.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.497 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 5.3 t -44.36 -48.72 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.02 -36.74 70.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.784 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 87.1 t -74.94 -33.48 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -82.3 -18.01 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 53.3 t -73.39 -54.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.61 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.78 -53.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.73 32.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -114.57 110.77 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.88 16.49 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.6 -49.05 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -26.92 67.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.3 pptp? -83.98 1.51 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -119.6 6.49 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -130.47 -43.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.529 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 29.3 mt -74.97 -36.96 62.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 68.7 p -108.52 -0.76 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.33 152.61 20.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.9 m -96.48 -46.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 150.25 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt 50.52 22.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -78.08 164.32 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -62.44 -21.59 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 m -99.1 -58.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.21 58.04 2.44 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.561 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.571 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.439 HMB1 ' CBB' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.582 ' O1D' ' CE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.081 0.943 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' O ' ' CMB' ' A' ' 108' ' ' HEC . 43.3 Cg_exo -55.37 110.55 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.32 3.346 . . . . 0.0 109.618 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.422 ' O ' ' CMB' ' A' ' 108' ' ' HEC . 1.8 mttt -72.33 173.55 8.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.78 86.9 11.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -40.3 161.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.306 3.337 . . . . 0.0 109.612 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.55 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.04 170.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.12 17.01 6.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.54 125.21 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.454 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.64 140.2 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.407 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 1.8 mtp -104.68 118.73 37.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -146.59 58.39 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.09 -16.46 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.489 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.7 p -112.62 -159.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 20.1 mtpt -91.92 23.04 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.501 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -146.6 88.91 5.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.41 130.36 22.23 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.612 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.07 119.7 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -86.96 152.96 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.657 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -155.54 118.22 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -104.96 131.3 52.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' HIS . 47.8 m80 -58.85 -28.92 66.53 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.744 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 p -55.86 -43.07 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 80.7 p -75.8 -4.33 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 60.6 m80 -142.68 44.51 1.61 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.715 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -99.43 101.71 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 t 148.34 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.88 135.83 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -48.99 122.16 5.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.465 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.4 m -53.68 -23.35 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.89 -3.95 69.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -82.34 -32.47 29.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -108.67 -44.02 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -95.32 82.48 3.72 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' HG21 ' A' ' 37' ' ' VAL . 5.4 p80 -79.74 154.75 75.9 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 124.21 0.944 . . . . 0.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.42 130.08 14.59 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.375 3.383 . . . . 0.0 109.543 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.56 HG21 ' CE1' ' A' ' 35' ' ' HIS . 1.9 t -127.57 -77.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.16 62.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.24 30.37 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -172.22 131.89 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.9 mt-10 -36.37 120.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' CB ' HG22 ' A' ' 37' ' ' VAL . 6.0 t70 -94.48 130.02 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 6.5 m-85 -126.09 20.47 7.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.2 mtm180 -97.15 175.21 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' ARG . 18.6 mttp -37.77 137.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.452 ' SG ' ' CGD' ' A' ' 108' ' ' HEC . 55.7 m -62.8 -47.35 83.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -71.76 -83.37 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 54.16 167.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.416 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.69 120.83 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.46 -23.32 9.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -110.88 -139.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.515 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 64.3 m-70 -60.99 76.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.6 p-10 -106.1 25.14 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -111.96 122.22 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.3 mtt -127.43 57.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -116.27 -171.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.12 93.81 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER 164.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 124.76 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.63 33.13 4.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -82.02 177.34 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.515 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.67 -5.3 39.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.86 -12.84 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.66 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.8 t80 -64.54 -53.0 54.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.965 -0.617 . . . . 0.0 109.839 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.804 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.5 t80 -75.09 0.09 17.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.904 -0.57 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 13.4 t60 -99.11 -9.3 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.64 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.566 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 18.1 m -111.74 16.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.617 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.3 23.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.804 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -151.16 -55.63 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.775 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.439 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 2.4 m-20 -52.58 -176.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -147.12 -47.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -49.66 -23.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.449 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 22.8 p -42.05 164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.56 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -109.77 155.56 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.28 156.83 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 70' ' ' HIS . 9.2 t -121.16 -172.96 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.53 -59.92 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.57 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 44.9 t -61.42 -35.87 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.08 -72.57 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.4 t -44.08 -50.63 8.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.8 -35.82 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 72.8 t -71.02 -33.27 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.4 -8.84 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.6 t -107.21 -57.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.436 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -74.19 58.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.38 24.61 3.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.77 -29.9 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -129.15 154.59 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.89 29.76 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.32 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -27.3 65.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.47 -18.2 6.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.14 21.23 17.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -137.94 -43.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.493 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 19.4 mt -78.36 -43.77 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 64.6 p -107.84 2.85 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.46 163.04 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.473 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 14.1 m -109.32 -38.84 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -127.79 130.86 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 3.2 ttmt 87.89 -8.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 t -64.86 155.21 34.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 1.5 mptp? -53.71 -41.81 67.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.03 -57.83 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 108.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.73 64.96 0.81 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.761 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.657 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.566 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.479 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.501 ' C2A' ' HG3' ' A' ' 16' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.563 ' H1 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.096 0.95 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.563 ' HD3' ' H1 ' ' A' ' 1' ' ' ALA . 4.5 Cg_exo -81.6 162.98 19.1 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.299 3.333 . . . . 0.0 109.538 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.56 -176.0 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.98 76.9 11.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -41.44 163.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.292 3.328 . . . . 0.0 109.602 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.73 169.27 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -44.95 168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.87 8.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.59 1.181 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.74 121.58 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.31 144.27 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.452 ' HG2' ' CGD' ' A' ' 108' ' ' HEC . 2.6 mtp -108.97 105.3 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.478 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 1.1 mt-10 -132.73 50.53 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.18 42.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.498 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.1 p -106.51 -160.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 10.2 mttp -92.33 24.16 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.55 87.76 5.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.478 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 23.3 Cg_exo -65.84 131.0 26.03 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.334 3.356 . . . . 0.0 109.617 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.0 t -139.2 115.03 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.41 ' HA ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.5 152.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.607 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -97.21 134.1 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -64.93 -31.26 72.41 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.785 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -60.12 -40.46 89.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 24.8 p -78.63 -0.88 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -145.98 49.7 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.78 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -103.65 -15.02 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -98.14 36.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -131.62 145.91 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 120.22 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -54.69 -20.65 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 14.79 61.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.87 -33.46 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.31 -52.11 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -88.66 73.65 8.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.768 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.512 ' CE1' HG21 ' A' ' 37' ' ' VAL . 4.9 p80 -68.93 159.61 81.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.163 0.914 . . . . 0.0 109.787 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 22.7 Cg_exo -63.56 129.84 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.305 3.337 . . . . 0.0 109.608 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.513 ' CG1' ' CBC' ' A' ' 109' ' ' HEC . 10.6 t -136.35 120.5 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.49 35.52 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 40' ' ' LYS . . . 56.63 58.85 12.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 41' ' ' GLU . 13.0 tttm 170.51 104.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.787 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.9 mt-10 -30.6 126.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.3 142.75 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 9.5 m-85 -128.11 19.73 6.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.881 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 42.0 mtm180 -88.5 165.77 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.3 mttt -37.42 142.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.2 m -59.94 -41.92 92.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 51' ' ' CYS . . . -77.85 -87.6 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.76 167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.08 125.04 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.43 -15.45 22.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 3.9 m -120.48 -140.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 61.2 m-70 -61.05 82.52 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.713 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -112.06 27.28 9.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -110.87 116.21 30.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 2.0 mtt -124.74 55.73 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.26 -169.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.471 ' NZ ' ' CMA' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -133.64 93.78 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 170.45 -58.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.83 119.95 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.583 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 10.8 pttt -107.79 23.33 14.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -59.97 -178.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -68.1 -9.93 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -19.82 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.03 117.85 13.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.591 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.7 t80 -67.08 -50.64 61.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.031 -0.584 . . . . 0.0 109.851 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.4 t80 -76.58 -1.15 26.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 12.4 t60 -98.29 -10.24 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.548 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 17.2 m -109.29 15.57 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.591 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.05 26.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.3 m80 -153.76 -76.22 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.736 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.47 152.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.08 -5.59 10.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.21 43.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.551 HG23 ' CE1' ' A' ' 67' ' ' HIS . 22.0 p -117.45 165.24 13.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.561 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.05 92.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.561 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 67.5 m-85 -112.99 155.48 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.31 158.88 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.434 ' HB3' ' CA ' ' A' ' 69' ' ' MET . 35.1 m -113.46 -124.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 99.2 m -127.26 -46.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.547 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 69.2 t -77.75 -32.02 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.8 -70.98 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.9 t -43.61 -49.83 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.59 -36.5 66.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.712 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 97.8 t -70.13 -33.92 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.62 -8.0 59.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.8 t -108.15 -58.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.97 58.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.84 25.05 4.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.92 -31.78 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.07 149.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.99 27.79 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.34 -60.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -24.28 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.78 -17.69 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -105.66 19.05 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -135.36 -43.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.503 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 14.5 mt -78.27 -43.98 26.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 57.5 p -108.71 3.02 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 157.99 9.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.493 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 21.1 m -104.04 -40.5 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.3 tptp -121.37 130.25 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.6 ttmt 87.49 -8.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 107' ' ' GLU . 27.1 t -63.09 153.25 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.487 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.0 OUTLIER -55.67 -40.36 72.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -70.55 -50.12 40.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.93 68.69 0.68 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.723 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.607 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.548 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.487 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.503 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.46 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 122.02 0.914 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.46 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 68.5 Cg_exo -48.33 88.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.324 3.349 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 1' ' ' ALA . 20.0 mttt -106.46 44.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . 39.02 90.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.6 Cg_exo -40.14 162.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.322 3.348 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -52.97 144.68 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.75 148.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.01 42.63 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.424 ' CD1' HAD1 ' A' ' 108' ' ' HEC . 0.1 OUTLIER -126.9 123.35 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.82 144.14 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.45 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 2.0 mtp -113.42 112.53 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 14.2 pt-20 -142.38 54.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.3 40.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.499 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.1 p -93.82 -158.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 9.6 mttt -90.89 31.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -157.38 103.52 1.85 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.448 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.1 Cg_endo -80.93 128.24 6.49 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.276 3.317 . . . . 0.0 109.624 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.18 112.34 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.95 145.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -145.39 115.78 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -90.33 143.18 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CE1' ' CD2' ' A' ' 9' ' ' LEU . 19.5 m80 -74.79 -24.9 58.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.75 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.0 p -69.56 -21.01 63.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 20.6 p -96.12 -0.55 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -147.06 48.19 1.14 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.752 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -12.11 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 m -90.08 20.85 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.3 t -131.76 141.75 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.35 139.34 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -58.82 -26.41 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.42 -3.49 58.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -83.69 -32.36 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.433 ' O ' ' CBB' ' A' ' 109' ' ' HEC . 1.3 m -109.75 -46.11 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -94.33 76.38 3.93 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.772 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.565 ' CE1' HG21 ' A' ' 37' ' ' VAL . 7.2 p80 -72.18 158.68 87.15 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.192 0.933 . . . . 0.0 109.751 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.22 128.21 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.283 3.322 . . . . 0.0 109.638 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 35' ' ' HIS . 3.2 t -128.94 114.5 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.72 35.53 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.15 31.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 41' ' ' GLU . 17.0 tttt 178.29 103.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 40' ' ' LYS . 7.7 mt-10 -31.5 126.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.61 133.81 52.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.16 22.37 6.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.809 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -90.66 171.38 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . 3.1 mtpm? -40.29 122.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' SG ' ' CGD' ' A' ' 108' ' ' HEC . 35.4 m -42.63 -40.35 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.16 -93.4 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.521 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 55.44 150.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.46 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 119.63 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.3 -7.01 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 6.4 m -136.57 -138.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.511 ' CE1' HG13 ' A' ' 68' ' ' VAL . 71.4 m-70 -60.91 88.01 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.6 -15.78 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -61.98 122.71 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 mtt -142.08 62.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -131.9 -164.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -124.58 88.16 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 2.4 mmtp 165.84 -74.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.09 128.4 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.75 11.01 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.85 170.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.89 -30.03 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -29.0 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.9 116.36 3.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.79 -44.4 70.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.588 . . . . 0.0 109.827 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.808 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -82.74 -1.36 51.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.819 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CE1' HG21 ' A' ' 74' ' ' THR . 12.8 t60 -97.67 -10.76 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.655 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.542 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 17.1 m -106.36 13.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -148.35 24.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.808 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.11 -79.91 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.775 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -41.11 151.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -9.82 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -87.34 47.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.541 HG21 ' CE1' ' A' ' 67' ' ' HIS . 24.0 p -119.77 164.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -39.69 92.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -114.01 154.14 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -63.12 157.82 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.8 m -113.74 -121.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.93 -46.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.544 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 72.1 t -76.87 -29.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.16 -70.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 6.1 t -43.92 -49.19 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -55.73 -36.93 67.79 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.772 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 83.1 t -72.85 -34.07 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.2 -7.93 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 76.7 t -89.17 -57.39 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.79 166.43 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.94 -51.0 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.68 -29.52 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -78.43 83.9 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -54.72 -49.42 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -46.13 -48.16 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -28.71 69.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -77.3 -2.33 34.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -122.77 -1.7 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 92' ' ' ALA . 6.3 m-20 -117.17 -27.35 6.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.535 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 2.3 mt -93.43 -44.03 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 62.7 p -103.61 -4.8 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.66 149.84 18.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 66.2 m -93.21 -47.19 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 137.56 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 78.79 -0.83 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' GLU . 11.8 t -71.86 148.95 45.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.496 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.0 OUTLIER -51.23 -40.61 59.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.02 -60.45 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 108.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -101.28 61.81 0.94 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.703 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.652 ' CGD' ' CMD' ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.542 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.496 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.535 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.051 0.929 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -78.87 -161.86 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.303 3.335 . . . . 0.0 109.578 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.469 ' O ' ' CMB' ' A' ' 108' ' ' HEC . 24.4 mttt -96.18 -60.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.51 141.24 9.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.567 ' HG3' ' CE1' ' A' ' 22' ' ' HIS . 48.4 Cg_endo -67.35 176.58 4.65 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.354 3.369 . . . . 0.0 109.579 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -101.35 118.3 36.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -38.5 156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.26 18.54 5.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -96.85 143.52 27.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.12 135.51 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.448 ' CE ' ' O1D' ' A' ' 108' ' ' HEC . 4.2 mtp -100.51 96.33 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.3 pt-20 -124.87 44.81 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.08 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.49 HG21 ' CGD' ' A' ' 111' ' ' HEC . 3.6 p -113.92 -157.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -92.93 32.43 1.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.428 ' HG3' ' ND1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -156.71 91.26 2.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.467 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 15.5 Cg_exo -68.05 107.58 1.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.288 3.325 . . . . 0.0 109.636 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.28 126.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.28 150.47 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.723 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -154.47 117.03 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.96 134.2 48.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.567 ' CE1' ' HG3' ' A' ' 5' ' ' PRO . 35.3 m80 -63.05 -19.55 64.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -67.75 -27.34 66.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -93.44 -2.97 53.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -146.24 48.92 1.19 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.774 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -105.96 3.7 28.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -113.17 30.3 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -136.16 139.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 130.71 38.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 m -55.96 -26.63 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.18 -4.52 56.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -82.68 -32.53 28.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -110.21 -45.76 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.239 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -94.55 76.09 3.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.76 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' HG21 ' A' ' 37' ' ' VAL . 6.8 p80 -70.55 159.28 85.53 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.174 0.921 . . . . 0.0 109.754 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.04 128.7 20.18 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.318 3.345 . . . . 0.0 109.649 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 35' ' ' HIS . 3.3 t -130.12 114.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.93 39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.62 49.68 64.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.9 ttpt -176.63 103.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.774 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' LYS . 22.3 mt-10 -32.02 129.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -114.16 137.78 51.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 10.2 m-85 -129.45 20.73 5.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.796 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.8 mtt180 -87.73 171.11 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.0 mttm -39.63 123.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -42.93 -42.93 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.4 -93.5 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.508 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.88 150.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.12 120.7 15.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.36 -8.27 10.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.0 m -135.98 -138.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.501 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 68.4 m-70 -60.01 89.46 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.769 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -105.89 -17.09 14.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 t -61.97 119.33 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.6 mtt -140.17 62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -139.17 177.96 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 19.2 tttt -107.52 83.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 19.1 mttt 163.14 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.11 122.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 61' ' ' SER . 16.7 mmtt -105.24 -141.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 85.44 164.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.97 -26.52 48.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -62.22 -28.97 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.95 116.19 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.8 t80 -67.64 -46.15 73.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.968 -0.616 . . . . 0.0 109.826 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.815 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -80.69 -2.14 45.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.808 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.49 ' CE1' HG21 ' A' ' 74' ' ' THR . 10.5 t60 -98.14 -8.8 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.532 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 18.7 m -108.59 14.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -149.94 30.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.815 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 71.6 m80 -151.39 -82.11 0.1 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.693 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -49.84 150.81 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -111.4 -23.32 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.49 HG21 ' CE1' ' A' ' 67' ' ' HIS . 20.6 p -52.7 165.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -61.85 -39.48 92.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -117.97 157.62 26.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -62.47 158.14 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -116.78 -95.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.1 -47.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.538 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 48.3 t -72.94 -34.22 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.95 -68.86 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 5.9 t -45.13 -47.44 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.36 -34.18 70.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.538 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 95.6 t -70.8 -39.21 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.43 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -77.56 -8.18 57.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.2 t -107.12 -57.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.451 ' CB ' HD13 ' A' ' 97' ' ' LEU . . . -78.07 56.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.06 24.38 4.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.77 -29.72 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -127.34 147.37 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.76 26.61 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.94 -65.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -57.57 -24.31 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.81 -18.22 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -103.35 16.57 26.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LYS . 62.2 m-20 -129.07 -40.44 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.486 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 20.6 mt -84.5 -49.05 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 38.5 p -103.37 -0.8 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.1 149.76 41.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.468 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 35.7 m -90.75 -42.54 10.63 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -117.27 135.1 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER 84.51 -5.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 107' ' ' GLU . 20.4 t -69.99 151.45 45.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.481 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 0.9 OUTLIER -56.48 -43.1 79.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 69.4 m -63.73 -54.09 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.428 ' ND1' ' HG3' ' A' ' 16' ' ' GLN . 94.2 m-70 -112.61 67.75 0.66 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.72 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.723 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.532 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.481 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.49 ' CGD' HG21 ' A' ' 14' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.678 ' N ' ' CD2' ' A' ' 43' ' ' TYR . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 122.064 0.935 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 3' ' ' LYS . 95.2 Cg_exo -47.68 127.46 14.11 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.298 3.332 . . . . 0.0 109.577 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER 87.78 153.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.17 89.45 14.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -40.53 162.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.327 3.351 . . . . 0.0 109.584 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.19 158.54 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.21 168.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.96 9.46 8.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.02 126.92 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.91 135.13 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -99.87 111.15 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.447 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -138.91 52.86 1.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.92 -15.86 52.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -112.58 -156.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -91.0 30.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -158.06 104.85 1.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 59.4 Cg_endo -83.07 113.44 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -116.85 118.31 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -84.43 149.39 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.654 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -150.01 118.83 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.24 130.12 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -59.21 -22.76 61.54 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.77 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -65.18 -36.21 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.37 0.95 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -149.3 50.66 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.743 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 26.68 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.64 142.47 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 136.32 58.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -59.16 -26.38 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.96 -4.81 63.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.01 -34.41 26.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.2 m -105.55 -49.23 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -90.73 80.03 5.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.793 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.538 ' CG ' ' CE2' ' A' ' 76' ' ' PHE . 4.3 p80 -70.0 154.86 94.31 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.102 0.876 . . . . 0.0 109.776 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.4 120.41 5.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.298 3.332 . . . . 0.0 109.615 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' C ' ' N ' ' A' ' 39' ' ' GLY . 1.5 t -114.96 149.01 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 41.45 29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.54 59.12 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp -179.9 102.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 0.811 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.2 mt-10 -34.83 123.99 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.407 ' CB ' HG22 ' A' ' 37' ' ' VAL . 11.5 t70 -112.58 141.9 45.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD2' ' N ' ' A' ' 1' ' ' ALA . 14.7 m-85 -133.75 22.6 3.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.831 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -92.44 172.47 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' ARG . 12.3 mttp -37.77 136.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.44 -45.69 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.08 -84.99 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER 54.03 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 119.52 29.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.2 -19.73 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 m -114.49 -137.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.489 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 66.0 m-70 -63.22 79.24 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.735 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.48 26.49 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -102.25 117.48 34.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -132.1 58.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.96 -166.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -124.31 93.5 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.2 mmmt 166.02 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.55 130.57 20.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 7.9 mttt -127.69 9.04 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.565 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.5 t -56.17 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -75.23 -3.0 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -87.99 -30.31 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -53.27 117.09 6.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.63 ' CE2' ' O2D' ' A' ' 111' ' ' HEC . 1.9 t80 -64.37 -63.4 1.15 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.819 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 66' ' ' TYR . 2.9 p90 -65.38 -8.26 17.77 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.936 -0.554 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 61' ' ' SER . 37.8 t60 -84.77 -28.94 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.552 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 32.6 m -93.91 24.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.597 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.29 31.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 73.1 m80 -157.0 -77.26 0.09 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -45.12 147.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -109.24 -7.87 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -88.94 44.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.414 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 17.9 p -115.91 165.47 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -39.74 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE2' ' CG ' ' A' ' 35' ' ' HIS . 10.9 m-30 -113.12 161.58 16.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -69.41 158.78 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 p -115.19 -148.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.406 ' HA ' ' CHC' ' A' ' 110' ' ' HEC . 76.4 m -105.83 -39.93 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.537 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 74.8 t -80.79 -31.43 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.4 -70.1 1.08 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.477 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 12.2 t -44.31 -46.59 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.766 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 97.3 t -74.37 -36.44 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -78.91 -9.85 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 54.8 t -84.74 -49.63 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.75 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.2 -61.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.03 30.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -102.71 125.65 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.39 24.57 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -126.1 -52.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.45 ' HD2' ' CD1' ' A' ' 97' ' ' LEU . 1.3 mmtp -65.03 -28.62 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -82.76 4.22 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -126.31 0.67 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 92' ' ' ALA . 2.1 m-20 -121.03 -27.77 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.507 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 25.2 mt -94.43 -39.9 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 72.5 p -104.43 -0.36 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.2 151.55 49.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.74 -19.27 13.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 23.8 tptp -129.31 123.5 31.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.9 ttmt 81.14 -2.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 41.3 t -71.79 157.49 37.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.493 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 1.0 OUTLIER -57.32 -28.02 62.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.0 m -81.57 -72.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -90.76 56.51 3.28 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.76 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.654 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.552 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.503 HMC1 ' CBC' ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.63 ' O2D' ' CE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 122.146 0.974 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.39 111.01 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.624 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -40.82 135.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.29 145.25 37.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.95 177.6 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.344 3.363 . . . . 0.0 109.571 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -79.32 135.28 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.9 42.84 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' CD1' HAD1 ' A' ' 108' ' ' HEC . 0.2 OUTLIER -125.95 128.25 47.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.29 138.42 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.475 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.2 OUTLIER -110.43 106.92 16.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.6 pt-20 -137.14 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.83 -16.38 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.505 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.8 p -112.97 -160.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 5.4 mtmm -91.9 24.06 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -147.91 88.9 5.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.06 128.38 18.53 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.288 3.325 . . . . 0.0 109.595 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.98 115.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -88.2 147.83 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.631 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -145.41 116.64 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.61 135.46 34.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' LYS . 22.9 m80 -65.67 -34.14 77.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.743 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 p -54.4 -53.87 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -58.63 -17.74 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' HIS . 68.3 m80 -129.03 38.63 3.9 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.719 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.621 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 ttpt -93.94 103.01 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.67 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 t -58.58 133.86 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -49.01 126.18 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.8 -24.25 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.338 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.64 -3.32 58.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -82.71 -33.55 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.435 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.5 m -109.63 -42.89 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -96.81 78.69 2.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.768 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.481 ' CE1' HG21 ' A' ' 37' ' ' VAL . 5.6 p80 -72.69 159.62 84.89 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 109.752 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 20.6 Cg_exo -64.54 132.16 32.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.317 3.345 . . . . 0.0 109.619 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG1' HBC3 ' A' ' 109' ' ' HEC . 5.2 t -135.06 110.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.23 39.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.99 48.99 64.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.53 103.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.4 mt-10 -31.99 126.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.54 147.33 34.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -136.32 23.44 3.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -91.15 169.71 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' HD3' ' CG2' ' A' ' 48' ' ' THR . 0.1 OUTLIER -37.23 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.54 -47.9 83.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.56 -84.45 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.97 167.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.41 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.62 120.52 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.03 -14.97 13.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -120.07 -139.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.479 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 60.0 m-70 -62.2 74.16 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.764 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.6 p-10 -106.0 24.5 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -106.87 123.58 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -130.76 58.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -113.74 171.21 7.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.49 80.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.99 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.39 129.43 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 14.3 pttt -122.1 27.48 8.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 37.6 t -69.53 176.99 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.044 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -65.15 -11.99 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 -14.67 43.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.49 119.45 12.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.0 t80 -66.83 -52.91 38.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.829 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.799 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.2 t80 -75.59 -0.63 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.824 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 15.2 t60 -98.82 -10.28 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.545 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 24.7 m -110.14 17.97 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.626 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.88 25.81 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.799 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -152.18 -72.02 0.15 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.79 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -40.22 155.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.44 3.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.68 2.29 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.449 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 23.3 p -71.61 165.27 24.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -40.37 96.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -114.05 156.77 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -64.5 158.6 23.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.407 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -117.45 -95.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.8 m -152.28 -47.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.342 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.571 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 49.5 t -71.81 -32.93 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.9 -71.48 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.9 t -44.04 -46.63 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -60.08 -37.07 78.8 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.764 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 54.9 t -67.52 -32.97 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.8 -21.83 34.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 88' ' ' GLY . 64.9 t -90.08 -38.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -38.17 -31.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' VAL . . . 54.03 -163.88 2.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 50.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -121.72 114.52 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.44 26.15 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -115.72 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -22.75 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -58.82 -16.45 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.63 17.85 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.15 -43.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.494 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 15.7 mt -78.52 -47.28 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 49.9 p -104.84 -2.72 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.32 158.94 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.488 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 22.6 m -105.54 -40.76 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 7.5 tppt? -123.57 128.92 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 89.38 -4.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.4 t -68.46 155.05 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.489 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 1.4 mptp? -55.39 -39.83 70.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.5 m -69.92 -59.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.44 62.21 0.85 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.739 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.348 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.568 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.545 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.489 ' CMA' ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.505 ' CGD' HG22 ' A' ' 14' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.109 0.957 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 40.9 Cg_endo -91.74 -15.51 1.36 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.361 3.374 . . . . 0.0 109.541 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 mtmp? 75.34 158.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.38 105.78 55.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.28 178.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.47 141.91 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.02 29.17 2.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.5 123.99 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.53 145.91 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.457 ' CE ' ' O1D' ' A' ' 108' ' ' HEC . 3.0 mtp -111.63 113.1 25.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.5 pt-20 -140.71 54.66 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.13 -24.69 34.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.497 HG22 ' CGD' ' A' ' 111' ' ' HEC . 4.0 p -104.82 -159.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.1 mtmt -90.23 13.29 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -135.91 88.91 21.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.39 129.53 20.44 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 124.326 3.351 . . . . 0.0 109.601 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.78 120.86 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.03 152.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.35 117.09 4.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.62 134.07 44.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -63.23 -22.69 67.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.74 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -65.66 -33.76 76.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 p -86.47 0.15 54.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -147.16 50.02 1.1 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.801 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.77 0.17 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.6 m -107.51 26.95 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.5 t -134.23 142.21 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -58.24 131.53 50.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.15 -24.91 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.74 60.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.4 -34.45 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.415 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -106.95 -45.87 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.319 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.93 84.31 5.33 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.745 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 p80 -82.06 157.54 68.48 Favored Pre-proline 0 CA--C 1.54 0.576 0 O-C-N 124.127 0.892 . . . . 0.0 109.722 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.4 Cg_exo -64.2 140.42 71.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.511 ' CG1' ' CBC' ' A' ' 109' ' ' HEC . 3.4 t -136.49 -74.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -88.28 67.07 8.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ASN . . . 36.1 37.41 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.8 tttt -176.81 105.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.791 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.605 ' C ' ' O ' ' A' ' 40' ' ' LYS . 35.3 mt-10 -20.46 115.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.426 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 1.1 m-20 -94.52 149.53 21.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -135.29 24.31 3.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.803 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.1 mtt180 -91.97 168.95 11.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 44' ' ' ARG . 1.8 mptp? -37.54 140.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.8 m -60.89 -46.63 89.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.26 -85.18 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.32 167.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.373 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.64 122.07 30.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.79 -21.04 11.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -114.18 -139.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 62.7 m-70 -61.8 77.87 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.747 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.1 p-10 -108.09 24.77 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 124.39 51.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.2 mtt -132.47 58.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.75 -169.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.1 tptm -129.81 93.07 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 168.46 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.74 122.51 19.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.4 mttm -115.34 27.94 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.529 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 3.1 t -74.28 -174.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.33 -4.92 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -92.02 -11.61 35.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 68' ' ' VAL . . . -71.45 117.21 6.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.5 t80 -65.71 -56.39 12.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.013 -0.594 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.789 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -72.86 -1.99 18.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.821 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 21.2 t60 -97.93 -11.06 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.555 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 28.1 m -109.8 20.47 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.593 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -155.68 29.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.1 m80 -153.61 -76.55 0.12 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.735 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.94 153.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -114.58 -10.79 12.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.51 44.79 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -115.8 166.17 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -113.82 156.87 23.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -64.88 158.15 25.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 p -114.64 -149.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -105.28 -40.42 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.554 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 74.4 t -80.58 -31.0 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.02 -71.7 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.403 ' HB2' HMC1 ' A' ' 110' ' ' HEC . 8.2 t -43.95 -47.09 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.97 -36.14 72.17 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.801 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 78.5 t -69.87 -41.52 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.88 -2.31 26.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 98.4 t -113.87 -58.6 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.408 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . . . -77.84 56.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.44 25.72 4.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.82 -30.99 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.77 28.14 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -113.51 -62.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 97' ' ' LEU . 4.4 ttmm -62.1 -23.69 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.52 -17.08 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.57 15.68 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.67 -43.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.52 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 12.5 mt -80.62 -45.75 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.7 p -108.3 3.65 23.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.24 157.62 18.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.478 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 33.3 m -102.02 -41.87 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 2.0 tptp -120.93 133.15 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 5.0 tptt 86.34 -7.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 26.4 t -65.9 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.491 ' HB3' ' CMA' ' A' ' 110' ' ' HEC . 1.4 mptp? -60.6 -42.34 96.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.0 m -67.63 -56.89 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -107.46 65.37 0.65 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.552 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.555 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.507 ' CBC' HMC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.52 ' CMC' ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 122.036 0.922 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.455 ' O ' ' CMB' ' A' ' 108' ' ' HEC . 94.7 Cg_exo -44.59 144.65 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.294 3.329 . . . . 0.0 109.609 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 4' ' ' ALA . 2.7 mmmt -65.74 143.06 57.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -38.43 101.59 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -43.83 162.24 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.317 3.345 . . . . 0.0 109.586 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.91 140.38 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.87 167.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.29 23.02 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.24 124.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.2 135.42 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -101.41 116.99 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' HB3' ' CB ' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -146.21 56.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.9 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.508 HG22 ' CGD' ' A' ' 111' ' ' HEC . 3.2 p -91.69 -156.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -91.11 24.48 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -150.17 105.36 3.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 12' ' ' GLU . 88.9 Cg_endo -81.12 131.4 7.79 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.303 3.336 . . . . 0.0 109.632 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -135.85 113.16 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.92 149.85 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.622 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -151.41 118.51 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.408 ' O ' ' OG1' ' A' ' 24' ' ' THR . 5.8 m120 -96.53 135.51 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -66.76 -29.8 69.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -64.21 -34.54 78.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.934 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 15.8 p -84.35 5.16 28.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -151.17 51.27 0.84 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.765 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -20.59 14.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t -93.77 40.46 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -135.59 144.06 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.22 118.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.407 ' SG ' ' OH ' ' A' ' 43' ' ' TYR . 13.3 t -54.7 -20.5 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.59 14.2 62.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.6 -37.65 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.08 -47.95 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.22 78.55 4.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.787 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.491 ' CE1' HG21 ' A' ' 37' ' ' VAL . 3.6 p80 -71.67 159.97 83.95 Favored Pre-proline 0 CA--C 1.54 0.573 0 O-C-N 124.08 0.863 . . . . 0.0 109.708 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 23.0 Cg_exo -63.49 132.1 34.36 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.265 3.31 . . . . 0.0 109.601 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.493 ' CG1' HBC1 ' A' ' 109' ' ' HEC . 11.4 t -138.1 122.99 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.452 ' N ' ' ND2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER 63.46 38.8 9.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.98 58.23 12.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.0 ttmm 171.62 102.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.5 mt-10 -28.72 127.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.13 147.57 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.407 ' OH ' ' SG ' ' A' ' 30' ' ' CYS . 15.4 m-85 -135.43 25.08 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.806 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.3 mtm180 -92.34 169.28 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ARG . 20.6 mttt -37.64 141.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.95 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.29 -85.43 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 54.33 166.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.386 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.56 120.44 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.66 -14.79 12.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -121.02 -139.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 62' ' ' ALA . 59.1 m-70 -61.59 75.38 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.752 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.5 p-10 -105.34 23.63 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 t -111.01 124.52 52.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.0 mtt -129.26 57.47 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.65 169.71 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 2.4 tptp -123.7 92.04 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mtpt 164.28 -36.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.37 94.99 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -68.89 -119.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.5 m 84.85 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.13 -4.71 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -14.7 26.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.14 118.64 8.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.59 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.5 t80 -66.34 -54.09 28.62 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.006 -0.597 . . . . 0.0 109.804 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.806 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.9 t80 -74.79 -0.3 17.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.826 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 16.0 t60 -100.03 -7.49 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.542 ' HB ' ' CHB' ' A' ' 109' ' ' HEC . 30.6 m -113.42 18.06 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.59 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.96 26.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.806 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.99 -80.92 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.747 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.72 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.45 -8.98 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -88.01 45.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 p -118.29 165.25 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -40.61 93.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -118.11 150.2 39.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -60.23 157.3 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -111.88 -95.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.9 m -153.69 -47.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.545 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 56.1 t -71.18 -36.37 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.44 -69.69 1.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 4.7 t -44.25 -47.8 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' ALA . 11.3 m170 -58.95 -36.46 74.83 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.771 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 80' ' ' VAL . 97.4 t -67.22 -31.38 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.2 -22.56 28.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLY . 65.3 t -89.38 -34.64 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -38.66 -31.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' VAL . . . 53.06 -165.35 1.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.76 49.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -123.75 116.08 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.57 27.13 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.28 -50.28 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -78.48 -20.08 51.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.85 -8.75 38.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.5 15.95 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -135.32 -44.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.411 ' O ' ' CMC' ' A' ' 111' ' ' HEC . 15.9 mt -75.94 -41.19 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 53.0 p -109.07 2.22 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -52.96 159.86 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.483 ' SG ' ' CMB' ' A' ' 111' ' ' HEC . 9.8 m -106.19 -38.09 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 12.1 tptp -124.36 127.11 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.0 tptm 85.13 -1.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 t -63.2 159.88 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.72 -44.92 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.05 67.14 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.735 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HEC . . . . . 0.622 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HEC . . . . . 0.542 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HEC . . . . . 0.482 ' CBC' HMC2 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HEC . . . . . 0.508 ' CGD' HG22 ' A' ' 14' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 122.018 0.913 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -49.21 165.71 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.286 3.324 . . . . 0.0 109.601 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.28 144.36 32.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.95 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.19 20.79 5.46 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.619 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -105.64 126.59 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.909 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.34 141.83 45.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtp -107.95 119.06 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -147.39 57.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.6 -36.16 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -91.06 -156.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.45 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 9.2 mttt -91.31 24.12 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.64 104.18 3.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.3 Cg_endo -80.73 131.97 8.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 105' ' ' CYS . 88.6 t -136.73 116.99 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.909 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -83.19 150.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -153.1 116.79 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.46 126.25 49.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -54.07 -28.34 38.38 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -58.35 -42.87 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.9 p -77.2 -2.9 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -144.33 48.32 1.37 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.724 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -105.05 5.18 32.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 31.41 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -137.19 139.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -54.82 127.64 29.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.37 -25.07 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.03 -2.47 62.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -83.3 -37.54 23.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.11 -44.22 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.268 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -95.09 78.39 3.54 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.75 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.626 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.6 p80 -70.28 155.03 94.08 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 0.0 109.775 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -75.67 121.39 6.29 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.306 3.338 . . . . 0.0 109.604 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.626 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -114.85 148.76 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.9 m120 40.08 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.83 60.5 6.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' GLU . 15.7 ttpt 178.88 103.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.2 mt-10 -33.37 124.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -109.36 134.15 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -129.8 22.69 5.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.823 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.7 mtt180 -95.14 171.46 8.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' ARG . 5.2 mttp -37.59 136.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.49 -46.01 91.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -73.68 -84.6 0.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.74 167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.8 120.86 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.83 -24.06 9.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.127 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -107.94 -135.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.049 ' CE1' HG11 ' A' ' 68' ' ' VAL . 74.3 m-70 -64.94 86.09 0.05 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.744 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.61 -17.97 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' TYR . 2.6 t -62.85 120.61 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.6 mtt -137.84 61.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -126.86 171.56 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.8 ttpm? -107.99 79.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 163.21 -80.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.89 128.62 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 61' ' ' SER . 6.3 mtmm -103.09 -137.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER 86.48 167.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.486 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -64.68 -30.7 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -29.58 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.98 114.65 3.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.9 t80 -65.64 -48.86 70.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -0.604 . . . . 0.0 109.812 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.1 t80 -78.64 -1.65 35.3 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.831 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 61' ' ' SER . 18.7 t60 -97.21 -11.62 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.049 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.9 m -106.16 15.67 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.565 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.068 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -155.29 -73.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.78 149.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 -14.53 13.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -87.61 46.48 1.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.3 p -116.64 165.19 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.05 92.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -112.28 157.17 21.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 157.94 31.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.4 p -115.52 -148.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 74.1 m -105.75 -40.11 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.251 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.059 ' O ' HG23 ' A' ' 84' ' ' VAL . 73.1 t -80.56 -31.42 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.02 -71.23 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.764 ' O ' HG23 ' A' ' 86' ' ' VAL . 9.1 t -44.16 -46.43 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.69 -35.94 73.41 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.702 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.059 HG23 ' O ' ' A' ' 80' ' ' VAL . 73.4 t -70.0 -42.33 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.12 -2.95 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 82' ' ' CYS . 93.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.806 ' HD2' HD11 ' A' ' 97' ' ' LEU . 4.6 ttmm . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.455 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.47 -17.14 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.76 15.99 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -129.96 -43.65 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.806 HD11 ' HD2' ' A' ' 93' ' ' LYS . 11.1 mt -80.27 -46.51 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.6 p -107.04 3.02 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.43 154.77 25.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.7 m -98.71 -44.38 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.8 tptp -118.95 133.97 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 86.49 -8.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.7 t -65.91 158.77 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -41.31 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.405 ' HA ' HG13 ' A' ' 18' ' ' VAL . 34.8 m -67.81 -60.17 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -101.58 62.73 0.94 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.72 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 122.063 0.935 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.93 176.89 9.45 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.92 147.94 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.24 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 17.83 6.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.35 120.88 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.967 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.97 139.79 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mtp -105.55 119.57 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -147.7 58.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.01 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -93.26 -156.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.0 mtmt -91.04 22.89 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.87 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.331 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 83.5 Cg_endo -80.72 130.64 7.8 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.325 3.35 . . . . 0.0 109.548 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.12 117.87 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.967 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -83.61 149.24 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -154.33 116.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.69 131.54 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.72 -31.47 69.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.757 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -56.51 -41.05 76.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -81.01 1.26 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.3 49.76 1.1 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.776 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.42 -11.49 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 31.43 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 t -136.83 134.49 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.03 129.42 30.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.45 -25.6 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 108.245 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.01 -3.2 67.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.27 -32.15 29.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.73 -45.55 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -93.92 75.36 4.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.781 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.8 p80 -69.74 159.1 85.26 Favored Pre-proline 0 CA--C 1.539 0.553 0 O-C-N 124.131 0.894 . . . . 0.0 109.762 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.3 Cg_exo -65.88 128.69 20.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.322 3.348 . . . . 0.0 109.589 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 35' ' ' HIS . 2.9 t -129.71 119.16 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 62.52 41.52 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.83 56.54 20.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp 176.46 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.1 mt-10 -31.87 129.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -113.43 139.1 49.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.07 20.69 4.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.814 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.4 mtt180 -88.82 171.1 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ARG . 16.6 mttt -39.77 123.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 m -43.27 -41.65 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.17 -94.18 0.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 56.46 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.15 119.86 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.92 -11.1 8.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.6 m -133.27 -138.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.971 ' CE1' HG11 ' A' ' 68' ' ' VAL . 70.5 m-70 -60.58 87.38 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -104.42 -17.61 14.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.53 124.64 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.1 mtt -141.81 63.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -137.46 -172.1 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -118.46 90.26 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 4.2 mttt 170.08 -73.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.31 126.65 28.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.7 mtmt -117.19 9.96 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -58.89 169.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.24 -31.62 44.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -30.83 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.03 116.11 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.4 t80 -69.81 -41.17 75.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.997 -0.601 . . . . 0.0 109.838 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.788 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -85.3 -2.81 58.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.847 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' A' ' 74' ' ' THR . 14.8 t60 -96.08 -11.32 26.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.971 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -105.77 16.08 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.542 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.38 30.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.788 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 77.8 m80 -155.38 -75.08 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.79 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.68 155.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -8.89 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.18 50.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 67' ' ' HIS . 22.9 p -118.45 165.4 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.02 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.12 169.0 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -74.2 158.62 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -154.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.8 m -95.78 -52.33 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 108.286 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.045 ' O ' HG23 ' A' ' 84' ' ' VAL . 83.7 t -72.92 -28.96 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.22 -73.33 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.5 t -43.4 -49.34 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -55.31 -37.65 67.65 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.774 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 80' ' ' VAL . 58.1 t -70.41 -39.68 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.74 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 82' ' ' CYS . 77.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.13 -8.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -115.14 15.76 17.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HB3' ' CE ' ' A' ' 104' ' ' LYS . 43.0 m-20 -136.67 -46.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.2 mt -70.65 -43.28 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 76.3 p -100.74 -4.97 27.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -66.36 159.3 47.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -75.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 122.02 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt 60.75 41.46 14.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -105.63 -172.74 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 53.8 mmtt -91.37 30.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 96.4 m -152.19 -62.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.44 59.03 1.1 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.797 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 122.058 0.932 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.28 177.73 8.4 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 0.0 109.587 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.69 145.38 25.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.23 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.91 21.28 5.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.99 130.79 51.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.651 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -139.82 137.43 34.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 mtp -105.95 115.01 29.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 7.1 pt-20 -144.24 55.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.91 29.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -97.03 -157.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 20.8 mttt -90.79 22.51 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.14 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.8 Cg_endo -80.61 132.43 8.86 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.37 3.38 . . . . 0.0 109.586 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.13 120.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.67 149.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -155.13 115.53 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.37 131.82 44.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -59.61 -23.08 62.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.798 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.4 p -65.44 -36.29 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -83.99 -0.72 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -146.17 48.83 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.778 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 1.6 29.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.22 28.12 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.47 138.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 130.22 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -55.01 -26.78 39.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.305 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.51 -3.07 57.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -83.01 -35.82 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.51 -44.41 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.28 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -95.96 77.42 3.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.788 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.811 ' CE1' HG22 ' A' ' 37' ' ' VAL . 8.4 p80 -70.38 154.79 94.24 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 124.12 0.888 . . . . 0.0 109.805 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.41 120.18 5.83 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 0.0 109.608 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.811 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -119.12 145.47 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.61 25.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.99 60.15 6.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.1 tttp 176.69 102.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' LYS . 31.5 mt-10 -35.26 123.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 40' ' ' LYS . 3.3 m-20 -112.48 133.48 54.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.55 20.54 8.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -86.49 170.37 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' CYS . 25.8 mttp -40.29 119.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LYS . 64.2 m -41.18 -39.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.84 -92.61 0.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 54.87 150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 0.729 . . . . 0.0 110.394 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.23 120.26 16.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.05 -15.78 8.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 9.5 m -125.99 -136.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.027 ' CE1' HG11 ' A' ' 68' ' ' VAL . 75.5 m-70 -61.71 88.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.77 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.37 -16.66 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -62.73 123.65 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.2 mtt -140.73 62.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -130.35 -166.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -124.43 89.18 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 14.8 mtpt 165.61 -74.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.52 130.13 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -120.89 11.63 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 t -59.32 169.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.84 -29.03 59.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.8 115.79 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.18 -43.32 74.44 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.007 -0.597 . . . . 0.0 109.793 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.6 t80 -84.38 -0.91 54.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.875 -0.583 . . . . 0.0 109.812 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.0 t60 -97.29 -11.45 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.027 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.07 14.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.0 30.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.1 m80 -156.95 -73.05 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.41 151.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.63 -17.47 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.58 48.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.442 HG22 ' CE1' ' A' ' 67' ' ' HIS . 21.3 p -116.9 165.47 13.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -40.38 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.07 160.72 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -67.01 158.09 31.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 p -116.39 -149.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.5 m -104.9 -41.25 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.04 ' O ' HG23 ' A' ' 84' ' ' VAL . 73.7 t -80.47 -30.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.32 -72.01 0.65 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.795 ' O ' HG23 ' A' ' 86' ' ' VAL . 11.4 t -43.55 -47.84 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.63 -37.24 70.47 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.731 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.7 t -70.63 -40.58 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.09 -4.91 41.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 82' ' ' CYS . 76.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 7.9 ttmm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -76.42 -1.43 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 1.19 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -116.81 -31.51 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 93' ' ' LYS . 35.8 mt -90.84 -43.5 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -107.79 1.39 22.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.02 159.1 4.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.8 m -104.86 -42.76 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 26.5 tptt -125.63 127.83 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 90.62 7.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 48.0 t -84.21 160.11 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -39.34 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.9 m -70.68 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -97.78 60.79 1.54 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 122.047 0.927 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.29 177.43 8.77 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -85.31 147.92 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.16 168.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 15.05 7.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.12 123.34 45.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.866 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.55 142.43 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtp -109.63 120.86 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -148.83 59.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.61 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -101.66 -156.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 5.2 mttt -91.81 27.31 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' CG ' ' C ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -155.78 104.79 2.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 97.7 Cg_endo -78.96 134.2 11.66 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.29 3.327 . . . . 0.0 109.629 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.67 112.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.866 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -80.78 150.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.85 116.74 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -99.85 131.6 45.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -58.81 -27.49 65.11 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.828 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -60.5 -39.82 89.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 68.0 p -80.97 0.79 33.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -146.71 49.44 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.775 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -106.03 2.84 27.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -111.61 29.6 7.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -136.26 137.41 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.87 127.16 24.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.94 -25.18 19.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 108.301 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.0 -3.77 65.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -82.12 -36.18 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.84 -43.03 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -97.05 78.07 2.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.8 p80 -68.86 154.66 94.62 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.156 0.91 . . . . 0.0 109.781 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -75.87 120.91 5.97 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.345 3.363 . . . . 0.0 109.609 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.548 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.68 147.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m120 39.97 33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.98 58.59 12.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.5 ttmt -178.1 102.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.7 mt-10 -34.91 124.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -109.92 136.42 49.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.14 22.86 4.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.806 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.4 mtt180 -95.0 173.15 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.7 OUTLIER -37.63 136.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.65 -44.7 96.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.47 -85.02 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.17 167.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.76 121.83 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.52 -24.4 9.75 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.7 m -108.34 -137.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.051 ' CE1' HG11 ' A' ' 68' ' ' VAL . 68.0 m-70 -63.08 78.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.77 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -106.29 23.97 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -110.81 121.29 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.2 mtt -127.46 56.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -107.78 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.6 tttp -116.06 82.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 6.8 mttt 165.48 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -39.61 128.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -112.91 23.11 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -72.95 159.17 34.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.473 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -52.78 -32.32 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -26.08 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.01 117.35 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.555 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.2 t80 -66.11 -50.86 62.57 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.978 -0.611 . . . . 0.0 109.821 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.803 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.4 t80 -77.82 0.0 25.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.431 ' CE1' HG22 ' A' ' 74' ' ' THR . 4.0 t-80 -98.77 -10.43 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.051 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.9 m -108.98 16.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.555 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.803 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.9 m80 -156.06 -72.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.749 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.39 149.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -110.5 -15.83 13.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.21 47.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.431 HG22 ' CE1' ' A' ' 67' ' ' HIS . 20.9 p -115.8 166.25 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -41.16 96.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 11.0 m-85 -110.9 165.5 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -71.21 157.75 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -115.72 -155.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.8 m -105.95 -37.37 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.933 ' O ' HG23 ' A' ' 84' ' ' VAL . 67.1 t -88.07 -7.96 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -83.93 -70.86 1.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 1.04 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.6 t -45.9 -38.2 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.45 -37.1 79.89 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.761 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 80' ' ' VAL . 64.4 t -72.67 -32.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.32 -4.94 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 82' ' ' CYS . 71.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 5.4 mtpp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -72.65 -5.13 35.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -122.39 -1.16 9.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.71 -30.25 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 97' ' ' LEU . 1.6 mt -90.31 -42.55 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -105.45 -1.72 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.17 156.23 1.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 29.6 m -103.4 -42.68 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.4 tppt? -127.0 129.83 48.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 10.0 ttpt 90.32 -1.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 43.5 t -75.98 158.94 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -36.62 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.7 m -74.89 -61.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -103.96 64.58 0.79 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.731 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 122.092 0.948 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.51 177.58 8.2 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -88.6 150.02 23.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.3 m-20 -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.33 7.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -99.03 120.58 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.853 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.79 139.13 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.8 116.38 31.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -144.13 55.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -103.97 -157.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.432 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 13.4 mtmt -91.14 29.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' CG ' ' C ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -157.23 104.35 1.87 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 95.8 Cg_endo -78.7 129.51 9.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.303 3.335 . . . . 0.0 109.622 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.32 112.07 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.853 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -80.92 149.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -153.03 116.29 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.11 129.18 46.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 45.6 m-70 -58.99 -19.7 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.749 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -64.89 -43.98 91.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.2 p -77.62 -2.4 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -142.5 47.35 1.58 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.79 3.7 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.29 31.05 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -136.12 144.13 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -58.46 126.12 26.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.06 -24.16 23.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.81 -2.3 64.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.65 -37.78 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.99 -45.61 5.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.276 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.36 77.11 3.92 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.763 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.761 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.2 p80 -68.86 154.66 94.63 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.199 0.937 . . . . 0.0 109.775 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.83 118.2 5.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.316 3.344 . . . . 0.0 109.633 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.761 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.4 t -114.68 147.51 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 43.14 28.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.94 58.5 9.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.2 tttp -179.81 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.8 mt-10 -34.84 124.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.76 138.62 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -130.08 13.64 5.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.57 176.89 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.239 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -46.74 133.49 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.2 -27.41 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -116.63 49.17 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.81 148.23 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 130.19 14.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.46 14.44 41.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.0 m -150.98 -133.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.951 ' CE1' HG11 ' A' ' 68' ' ' VAL . 80.9 m-70 -69.52 91.5 0.58 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.793 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 17.89 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -91.26 115.13 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.73 59.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -139.47 -167.49 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.69 89.01 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 7.0 mttt 170.23 -74.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 -40.37 130.99 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.29 3.68 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 178.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -62.09 -14.7 39.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -70.81 -35.5 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.58 121.97 1.98 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.2 t80 -78.71 -41.49 30.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.991 -0.605 . . . . 0.0 109.834 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.742 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -85.91 -5.5 59.22 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.871 -0.585 . . . . 0.0 109.824 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -94.0 -10.75 32.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.559 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.951 HG11 ' CE1' ' A' ' 52' ' ' HIS . 20.9 m -105.83 16.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.55 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.46 34.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.742 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.3 m80 -156.54 -63.58 0.1 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB3' HG23 ' A' ' 74' ' ' THR . 0.4 OUTLIER -55.7 170.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 74' ' ' THR . 4.8 pttt -126.94 -44.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -45.45 -26.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.579 HG23 ' HB3' ' A' ' 71' ' ' ASP . 20.8 p -40.91 162.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -37.3 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -114.54 165.68 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.09 158.14 36.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 p -113.83 -149.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 69.8 m -106.06 -37.26 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.061 ' O ' HG23 ' A' ' 84' ' ' VAL . 91.2 t -82.16 -34.1 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -54.65 -71.07 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.625 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.9 t -43.95 -47.74 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.36 -35.98 70.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.061 HG23 ' O ' ' A' ' 80' ' ' VAL . 82.6 t -70.29 -35.86 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.45 -11.22 59.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 82' ' ' CYS . 90.8 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.93 -17.9 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.11 17.2 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -43.71 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.78 -45.58 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.8 p -108.02 1.87 22.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.02 150.86 45.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.587 1.179 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.39 -47.32 6.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 136.39 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 81.03 -3.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 24.4 t -70.53 153.72 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -41.91 83.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.3 m -68.06 -59.26 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -105.96 64.61 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.766 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 122.037 0.922 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.5 Cg_exo -40.08 161.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.287 3.325 . . . . 0.0 109.637 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.48 146.95 46.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.29 167.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.04 29.46 2.17 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -113.94 121.81 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.954 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.76 144.79 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mtp -111.59 118.11 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -146.51 57.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.28 -36.19 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.537 HG22 ' SD ' ' A' ' 55' ' ' MET . 2.6 p -91.99 -157.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 20.5 mtpt -90.5 30.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.16 103.89 2.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 96.8 Cg_endo -80.46 130.12 7.81 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.31 3.34 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.7 t -135.23 115.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.239 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.954 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -84.14 146.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -147.37 116.53 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -95.55 133.31 39.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.415 ' CD2' HD23 ' A' ' 9' ' ' LEU . 34.2 m-70 -65.22 -28.7 69.55 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.767 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.3 p -62.72 -37.67 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 p -82.05 2.19 32.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -147.33 48.84 1.11 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -11.21 17.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p -93.76 23.9 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.58 137.04 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.63 132.17 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.2 m -54.73 -25.25 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.74 -2.32 60.59 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -83.34 -33.94 25.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.68 -44.41 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -94.33 81.66 4.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CE1' HG22 ' A' ' 37' ' ' VAL . 8.8 p80 -80.39 157.44 72.78 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.192 0.933 . . . . 0.0 109.74 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.5 Cg_exo -65.63 136.05 44.5 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.336 3.358 . . . . 0.0 109.573 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.4 t -135.8 -76.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.62 66.25 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 29.5 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.83 135.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.9 mt-10 -35.74 119.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -100.22 144.22 29.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 9.4 m-85 -131.66 24.44 4.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -91.11 168.92 11.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' ARG . 31.2 mttt -39.27 130.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.9 m -49.89 -41.42 45.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 108.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.61 -93.14 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.524 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.17 150.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.409 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.92 119.95 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.88 -9.83 9.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.3 m -133.52 -139.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.835 ' CE1' HG11 ' A' ' 68' ' ' VAL . 63.1 m-70 -61.3 76.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.9 p-10 -106.52 23.38 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -109.0 124.49 50.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.537 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.1 mtt -128.82 57.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.56 -166.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 3.4 tptp -143.57 97.81 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 13.7 tttm 164.39 -41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -87.75 118.66 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.73 48.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 6.5 t -95.59 178.94 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -74.65 -5.51 43.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -91.41 -4.33 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.083 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.76 121.81 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.601 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -70.97 -52.76 17.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.846 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.812 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.6 t80 -77.66 0.89 21.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.452 ' ND1' ' OD2' ' A' ' 71' ' ' ASP . 15.2 t60 -99.76 -9.32 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.835 HG11 ' CE1' ' A' ' 52' ' ' HIS . 28.5 m -111.57 16.33 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.601 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.44 26.91 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.812 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -154.6 -70.44 0.13 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.787 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 2.6 m-20 -45.88 152.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -118.0 -4.38 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -97.2 49.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 p -119.82 164.43 16.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -62.88 -39.64 95.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.66 159.47 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 159.73 32.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.97 -148.22 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 75.8 m -102.7 -49.72 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.05 ' O ' HG23 ' A' ' 84' ' ' VAL . 82.7 t -75.34 -28.11 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -58.06 -72.18 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.878 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.9 t -43.66 -48.91 7.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.45 -37.11 64.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.744 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.05 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.0 t -73.06 -34.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.74 -4.13 57.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 82' ' ' CYS . 55.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -78.22 -1.15 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -123.68 -1.29 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.465 ' C ' HD23 ' A' ' 97' ' ' LEU . 5.9 m-20 -117.48 -27.54 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 97' ' ' LEU . 2.8 mt -94.17 -42.41 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.0 p -106.09 -0.69 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.71 155.97 3.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.3 m -101.28 -42.7 6.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.1 tptp -125.76 133.83 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 87.73 -6.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 47.7 t -70.42 158.51 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -36.41 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.8 -65.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -98.93 60.96 1.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.766 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.126 0.965 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.49 177.57 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.294 3.33 . . . . 0.0 109.623 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -86.89 144.84 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.46 43.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.76 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -131.55 132.45 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.72 134.64 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -108.23 82.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.5 pt-20 -118.22 38.47 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.9 -18.23 64.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -110.97 -158.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 1.3 mtmt -91.99 27.32 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mp0 -150.0 89.18 4.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 16.0 Cg_exo -68.2 115.58 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.326 3.351 . . . . 0.0 109.599 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.0 t -131.72 114.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -88.52 146.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.76 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -141.92 116.55 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.14 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -66.92 -32.86 74.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.761 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -56.08 -38.67 70.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -80.9 -1.32 42.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -149.52 50.59 0.94 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.766 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -16.31 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -91.21 32.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 t -138.78 138.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 136.46 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -58.49 -24.99 61.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.2 -4.62 68.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.51 -32.78 28.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.29 -49.13 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -90.42 77.23 6.58 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.765 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.8 p80 -68.94 158.94 84.91 Favored Pre-proline 0 CA--C 1.539 0.555 0 O-C-N 124.199 0.937 . . . . 0.0 109.763 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.9 Cg_exo -64.01 129.95 26.01 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.273 3.316 . . . . 0.0 109.64 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.592 HG22 ' CE1' ' A' ' 35' ' ' HIS . 4.4 t -132.4 111.46 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.55 40.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.89 44.68 71.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -171.28 103.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' LYS . 38.5 mt-10 -33.34 127.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.59 147.23 40.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.95 20.72 3.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.821 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.42 168.13 16.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ARG . 10.9 mttt -39.58 126.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.27 -43.03 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.261 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -83.74 -94.32 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.56 150.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 122.8 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.82 -6.74 13.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 m -138.73 -140.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.992 ' CE1' HG11 ' A' ' 68' ' ' VAL . 58.0 m-70 -60.24 81.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -113.49 26.39 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -103.61 121.03 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.4 mtt -132.97 58.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -126.31 171.43 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 35.0 tttm -110.23 79.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 3.4 mmtm 163.82 -77.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t0 -39.78 119.78 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -97.01 -141.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER 86.83 173.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -71.25 -15.09 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.02 -33.69 76.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.75 123.3 6.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.54 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.4 t80 -71.82 -49.39 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.017 -0.591 . . . . 0.0 109.79 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 66' ' ' TYR . 2.1 p90 -78.76 -8.9 59.19 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.821 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.444 ' O ' HG21 ' A' ' 74' ' ' THR . 14.0 t60 -89.04 -8.82 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.992 HG11 ' CE1' ' A' ' 52' ' ' HIS . 29.3 m -111.2 21.41 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.12 28.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 79.3 m80 -147.71 -74.57 0.19 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.795 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HB3' HG23 ' A' ' 74' ' ' THR . 42.5 t0 -54.42 158.6 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -112.83 -34.32 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -47.61 -26.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 67' ' ' HIS . 22.1 p -44.12 165.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -39.7 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -110.15 169.3 8.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.53 158.42 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.2 p -118.95 -174.03 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.2 m -79.28 -41.45 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.054 ' O ' HG23 ' A' ' 84' ' ' VAL . 65.2 t -79.32 -36.15 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -50.57 -70.24 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.7 t -44.87 -49.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -57.6 -33.95 68.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.803 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 80' ' ' VAL . 88.0 t -70.84 -33.52 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.88 -3.73 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -73.5 -1.47 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.57 3.67 12.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.73 -28.02 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 mt -96.64 -44.37 7.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.1 p -107.4 2.83 24.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.19 154.04 53.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.47 -47.6 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 144.61 35.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.31 7.55 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.3 t -80.06 150.77 30.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.76 -43.92 73.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 m -67.24 -59.71 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.588 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 98.8 m-70 -101.5 62.04 0.93 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.776 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.125 0.964 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ALA . 88.1 Cg_exo -41.0 163.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.327 3.352 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.2 146.38 29.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.91 167.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.52 18.18 5.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.664 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -108.39 126.38 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.95 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.9 140.96 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 mtp -103.22 120.66 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -148.55 58.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.76 -35.57 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.433 HG22 ' SD ' ' A' ' 55' ' ' MET . 2.7 p -93.02 -156.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.42 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 1.2 mtpt -91.13 28.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -153.56 103.52 2.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 87.3 Cg_endo -81.07 131.1 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.309 3.339 . . . . 0.0 109.609 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 105' ' ' CYS . 71.4 t -136.07 118.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -81.97 150.39 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -152.44 117.5 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.7 m-80 -103.0 131.27 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -60.61 -29.5 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.754 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 p -57.2 -44.0 83.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 57.5 p -75.94 -4.04 38.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -143.11 47.68 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.784 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -104.58 2.1 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 29.79 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.078 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -135.05 140.63 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 127.81 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.6 -24.66 22.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.76 -3.74 68.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -82.07 -34.89 29.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -44.24 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -94.93 78.09 3.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.787 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.2 p80 -69.59 154.82 94.47 Favored Pre-proline 0 CA--C 1.539 0.539 0 O-C-N 124.146 0.903 . . . . 0.0 109.777 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.91 121.68 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 0.0 109.633 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.587 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -115.22 148.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 41.19 29.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.64 60.8 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.58 104.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.6 mt-10 -33.16 123.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' CB ' HG23 ' A' ' 37' ' ' VAL . 9.8 t70 -107.6 134.63 50.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -131.39 19.38 4.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' LYS . 46.5 mtm180 -92.8 172.51 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -37.17 136.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.08 -45.93 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.31 -84.47 0.31 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.02 168.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.395 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.58 122.57 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.88 -22.98 11.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -110.76 -138.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.978 ' CE1' HG11 ' A' ' 68' ' ' VAL . 65.3 m-70 -62.26 81.32 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.757 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -112.06 27.29 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -112.47 117.65 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.433 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.0 mtt -125.15 55.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -111.18 172.14 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -110.35 80.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 1.7 mttt 171.44 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t0 -40.21 131.26 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.6 mtpp -125.35 22.72 7.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -72.66 -179.4 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -69.41 -8.41 46.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -11.79 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.81 115.38 5.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.589 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.9 t80 -63.57 -54.88 29.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.846 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.81 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.1 t80 -73.17 -1.82 19.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.846 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.462 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 3.8 t-80 -97.49 -12.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.978 HG11 ' CE1' ' A' ' 52' ' ' HIS . 20.2 m -107.93 18.87 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.589 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.15 27.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.81 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 78.8 m80 -153.18 -80.41 0.1 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.717 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.94 154.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -5.48 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -90.23 41.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.459 HG22 ' CE1' ' A' ' 67' ' ' HIS . 19.6 p -114.89 165.98 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.96 91.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -118.28 153.17 34.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -61.71 159.36 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -115.54 -95.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 86.3 m -153.13 -47.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.259 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.032 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.9 t -72.82 -32.7 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.34 -70.23 1.02 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.7 t -44.4 -48.15 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.82 -35.89 71.5 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.772 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.9 t -71.85 -33.01 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 2.0 tt0 -82.87 -8.15 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 82' ' ' CYS . 67.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.545 ' HZ3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.73 -18.05 7.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.41 18.72 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -134.8 -43.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.545 HD21 ' HZ3' ' A' ' 93' ' ' LYS . 16.0 mt -78.69 -47.08 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 55.1 p -104.76 -1.27 26.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.97 2.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.8 m -103.12 -40.45 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.3 pttt -123.06 131.4 53.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER 87.42 -6.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' GLU . 13.7 t -66.54 151.34 47.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -42.31 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.484 ' HA ' HG13 ' A' ' 18' ' ' VAL . 64.7 m -66.63 -54.64 21.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -107.92 65.52 0.64 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.771 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.093 0.949 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -45.16 166.92 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.253 3.302 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.79 128.5 33.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.68 165.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.96 24.22 4.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 129.75 55.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.862 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.11 132.64 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.56 116.9 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.6 pt-20 -147.14 56.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.25 30.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -90.93 -158.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 7.2 mttp -90.61 30.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.61 102.96 2.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 85.8 Cg_endo -81.08 130.14 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.349 3.366 . . . . 0.0 109.576 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 105' ' ' CYS . 65.8 t -136.34 109.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.862 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -69.83 148.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -155.76 113.05 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -105.9 134.7 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -60.81 -17.82 51.78 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -69.3 -39.2 78.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 70.4 p -74.66 -4.73 39.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -146.69 49.7 1.14 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.617 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -99.46 103.9 15.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.66 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 32' ' ' ASP . 38.0 t -56.0 133.05 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 128.66 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.26 -24.5 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.36 -4.12 59.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' HG12 ' A' ' 28' ' ' VAL . 11.0 t70 -80.53 -31.46 37.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.82 -52.84 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -84.57 76.16 10.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 8.4 p80 -73.77 158.66 85.81 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 124.185 0.928 . . . . 0.0 109.745 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 19.8 Cg_exo -64.95 134.46 40.08 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.309 3.34 . . . . 0.0 109.59 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.3 t -133.37 -75.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.02 65.45 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.11 29.54 0.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.86 134.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.7 mt-10 -36.91 117.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -97.8 147.54 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.02 21.68 5.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.862 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -85.03 163.42 18.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ARG . 9.5 mttm -39.81 133.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.8 m -48.2 -44.73 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.54 -93.81 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER 55.05 150.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 110.436 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.71 120.57 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -6.9 10.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -138.44 -139.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.972 ' CE1' HG11 ' A' ' 68' ' ' VAL . 62.8 m-70 -60.9 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.737 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 p-10 -109.72 25.1 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 t -103.67 122.23 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mtt -132.32 58.89 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -121.95 -167.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -130.11 90.79 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 mttt 170.88 -83.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.01 126.92 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 4.7 pttm -122.11 33.32 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.535 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 33.8 t -67.0 -167.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -70.63 -7.39 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -90.88 -12.92 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.03 121.8 14.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.6 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.2 t80 -70.92 -48.7 52.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.969 -0.616 . . . . 0.0 109.868 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.2 t80 -80.9 -0.66 40.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.902 -0.57 . . . . 0.0 109.862 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 13.8 t60 -99.22 -8.39 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.555 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.972 HG11 ' CE1' ' A' ' 52' ' ' HIS . 26.2 m -111.17 17.67 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.6 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.69 25.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.8 m80 -149.44 -61.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.731 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.719 ' HB3' HG23 ' A' ' 74' ' ' THR . 5.7 m-20 -51.59 177.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' THR . 10.3 pttm -136.58 -46.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 74' ' ' THR . 1.7 m-20 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.719 HG23 ' HB3' ' A' ' 71' ' ' ASP . 22.2 p -41.69 164.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -40.54 91.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.46 163.5 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -68.9 157.98 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 p -119.85 -170.71 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 85.4 m -79.28 -46.38 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.349 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.035 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.4 t -74.89 -33.05 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.55 -72.34 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.488 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.0 t -43.78 -50.49 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.1 -36.23 67.94 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.753 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.035 HG23 ' O ' ' A' ' 80' ' ' VAL . 61.3 t -70.98 -33.25 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.59 -19.99 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -68.08 -7.4 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -119.72 -0.48 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.53 -29.01 6.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.2 mt -92.09 -44.36 8.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 70.9 p -106.77 0.64 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.73 156.62 31.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.3 m -98.17 -46.01 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 142.8 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.66 5.59 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.7 t -78.97 151.53 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -42.38 67.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.469 ' HA ' HG13 ' A' ' 18' ' ' VAL . 41.3 m -68.09 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -100.12 61.85 1.1 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.761 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.04 0.924 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 80.6 Cg_exo -40.53 162.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.261 3.307 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -84.66 179.14 7.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -44.17 167.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.32 -8.72 3.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.729 HD21 ' HD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -99.25 129.11 45.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 121.39 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -94.63 86.19 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.0 pt-20 -122.92 42.15 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.02 -23.74 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -104.39 -159.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 9.8 mtmm -92.84 30.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -155.55 91.6 2.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 23.4 Cg_exo -64.5 127.37 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 0.0 109.624 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 16' ' ' GLN . 43.8 t -138.69 99.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -77.91 155.59 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.729 ' HD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -148.16 119.51 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -88.85 144.72 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -79.84 -28.69 40.04 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.782 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -68.47 -18.63 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -99.92 5.15 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -150.47 50.76 0.88 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.763 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -101.0 -21.17 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 37.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.6 t -135.1 144.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -47.78 119.83 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.503 ' HG ' ' HH ' ' A' ' 43' ' ' TYR . 12.6 t -54.88 -20.25 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.71 12.85 62.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.68 -38.19 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.19 -46.98 6.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -94.79 77.32 3.67 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.739 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.678 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.6 p80 -71.22 159.79 84.47 Favored Pre-proline 0 CA--C 1.539 0.557 0 O-C-N 124.124 0.89 . . . . 0.0 109.727 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.6 Cg_exo -64.17 130.63 27.75 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.341 3.36 . . . . 0.0 109.63 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.678 HG22 ' CE1' ' A' ' 35' ' ' HIS . 10.2 t -136.91 125.31 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.253 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.29 35.46 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.63 18.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 tttm 171.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 40' ' ' LYS . 14.1 mt-10 -29.25 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.2 145.8 39.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.503 ' HH ' ' HG ' ' A' ' 30' ' ' CYS . 13.1 m-85 -132.86 23.87 4.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.791 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 mtm180 -91.51 169.1 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.708 ' HD3' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -37.64 141.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.6 m -61.06 -44.78 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -75.25 -85.89 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.708 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.57 167.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.433 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.98 121.47 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.77 -14.66 14.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 4.0 m -120.16 -139.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.951 ' CE1' HG11 ' A' ' 68' ' ' VAL . 64.9 m-70 -61.18 87.4 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.755 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -113.47 20.1 16.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -96.06 117.82 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.01 59.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -125.92 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -125.27 92.29 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 3.9 mttm 164.28 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.31 127.24 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 8.3 mttm -118.18 15.37 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.5 t -57.3 174.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.02 -31.54 51.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -32.25 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.37 116.51 3.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.5 t80 -69.28 -46.89 66.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.838 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.795 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -79.21 -2.98 43.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.777 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 60' ' ' LYS . 13.6 t60 -97.05 -10.05 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.951 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -107.39 15.24 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.557 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.18 26.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.795 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.5 m80 -150.32 -80.99 0.11 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.763 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -43.14 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -122.03 -1.02 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -92.13 43.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.406 HG22 ' CE1' ' A' ' 67' ' ' HIS . 23.5 p -119.37 164.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.556 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.1 92.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.556 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 62.9 m-85 -112.51 144.7 41.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.8 157.27 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -111.1 -114.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 73.9 m -138.04 -48.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.051 ' O ' HG23 ' A' ' 84' ' ' VAL . 54.8 t -73.33 -31.51 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.69 -70.31 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.661 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.9 t -43.9 -48.41 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.59 -37.28 70.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.8 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 80' ' ' VAL . 86.7 t -69.47 -31.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.75 -10.57 55.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 82' ' ' CYS . 65.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.775 ' HD2' HD11 ' A' ' 97' ' ' LEU . 6.5 ttmm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -60.95 -14.5 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 13.49 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.38 -42.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.775 HD11 ' HD2' ' A' ' 93' ' ' LYS . 8.6 mt -81.55 -51.63 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.7 p -101.57 -4.67 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.01 150.56 9.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -94.73 -44.54 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.6 tptp -115.48 131.92 56.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.1 tttt 87.8 -7.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 29.4 t -67.06 154.79 40.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -59.56 -39.96 85.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.5 m -68.05 -55.46 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -109.82 65.73 0.62 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.728 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.056 0.932 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.39 160.95 15.22 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.334 . . . . 0.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -73.56 143.83 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.95 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.04 43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.722 HD21 ' HD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.89 132.82 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.61 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.98 133.69 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.1 mtp -105.88 95.91 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -128.83 46.97 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -17.88 60.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -112.22 -155.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 3.2 mttp -91.24 24.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -149.52 103.05 3.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 90.6 Cg_endo -83.35 110.16 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.261 3.307 . . . . 0.0 109.571 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 105' ' ' CYS . 78.8 t -122.13 116.03 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.61 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.37 144.25 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.722 ' HD1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -139.65 115.12 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -91.71 143.05 26.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -74.32 -26.91 60.45 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.764 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -69.58 -17.24 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 17.4 p -101.37 7.13 42.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -151.48 43.74 0.76 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.723 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.2 ptpp? -89.19 162.75 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.4 p 85.51 -47.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -51.1 132.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -53.55 122.82 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -52.93 -22.29 5.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.08 -5.29 70.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -80.0 -34.84 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.09 -43.44 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.07 73.57 2.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.61 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.0 p80 -69.07 158.36 86.74 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.147 0.904 . . . . 0.0 109.784 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 16.8 Cg_exo -66.5 128.44 19.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.32 . . . . 0.0 109.591 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.61 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.0 t -128.83 111.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.2 52.14 53.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.1 tttp -178.21 104.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 40' ' ' LYS . 15.5 mt-10 -32.67 127.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -111.54 133.89 53.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.15 17.27 7.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.96 172.66 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -40.93 123.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 m -42.68 -43.08 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.28 -93.76 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.507 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.76 151.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 123.58 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -8.87 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -136.15 -139.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.016 ' CE1' HG11 ' A' ' 68' ' ' VAL . 63.7 m-70 -59.75 81.62 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 52.4 t0 -115.45 27.97 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -106.12 118.08 35.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -131.52 58.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -122.35 -167.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.58 90.89 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER 167.96 -67.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 129.06 38.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -121.74 29.24 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.79 173.68 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.61 -29.39 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -63.83 -19.92 65.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.56 118.8 16.08 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.0 t80 -68.46 -49.09 62.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.951 -0.625 . . . . 0.0 109.794 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.814 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -78.47 -2.82 40.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.795 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' A' ' 74' ' ' THR . 13.6 t60 -96.98 -11.21 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.016 HG11 ' CE1' ' A' ' 52' ' ' HIS . 22.1 m -107.39 16.77 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.587 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.83 30.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.814 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 72.3 m80 -152.68 -74.4 0.14 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.39 151.56 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.4 -13.9 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -14.23 62.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 67' ' ' HIS . 24.2 p -54.76 165.59 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 76' ' ' PHE . 25.9 tttp -64.87 -38.86 92.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.9 m-30 -107.99 162.83 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 157.7 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -121.72 -176.23 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.37 -46.1 28.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.046 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.2 t -77.52 -33.85 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.1 -70.58 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.902 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.2 t -44.22 -49.49 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -56.2 -35.02 66.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 80' ' ' VAL . 86.3 t -74.45 -33.4 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.99 -16.26 50.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 82' ' ' CYS . 74.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -73.5 -4.88 36.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -120.15 0.23 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -117.95 -26.24 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -96.83 -43.69 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 46.2 p -107.21 2.44 24.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.39 155.97 27.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.7 m -97.47 -41.37 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -125.79 135.93 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 87.68 -8.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 40.8 t -71.55 159.64 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.73 -40.63 84.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.464 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.5 m -67.76 -61.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 87.5 m-70 -107.58 66.05 0.66 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.781 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 122.033 0.92 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 68.3 Cg_exo -40.29 162.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.34 3.36 . . . . 0.0 109.576 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -55.68 141.4 38.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.37 150.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 42.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -124.46 122.32 37.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.832 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -129.16 148.23 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mtm -117.59 112.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 1.6 pt-20 -143.41 53.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -19.48 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -106.3 -158.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.9 mtpp -90.64 23.43 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -151.09 103.68 2.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 86.1 Cg_endo -80.67 126.96 6.17 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.284 3.323 . . . . 0.0 109.559 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.31 113.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.832 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.38 145.09 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -144.02 116.0 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.7 m-20 -92.23 133.2 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.423 ' CD2' HD23 ' A' ' 9' ' ' LEU . 23.4 m-70 -65.63 -28.31 69.02 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.752 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.0 p -64.96 -39.72 93.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 18.4 p -77.19 -2.4 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -144.29 46.98 1.41 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.773 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.07 -13.58 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -91.72 26.3 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -134.22 140.21 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.55 136.49 58.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -57.86 -25.84 61.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 108.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.1 -2.56 58.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -84.61 -36.74 21.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.63 -47.66 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -91.77 77.28 5.57 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.781 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.749 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.5 p80 -68.2 155.26 92.64 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.117 0.885 . . . . 0.0 109.78 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 118.72 5.42 Favored 'Trans proline' 0 N--CA 1.446 -1.301 0 C-N-CA 124.361 3.374 . . . . 0.0 109.593 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.749 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -115.25 147.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 44.1 27.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.36 57.79 10.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' GLU . 18.9 ttmt 179.46 103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.2 mt-10 -35.37 123.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -114.71 137.01 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.87 9.1 9.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.44 165.31 24.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -41.76 135.96 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.49 -29.27 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -116.65 48.72 0.91 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.22 147.89 22.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.7 125.67 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.74 15.47 26.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 m -150.91 -131.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.998 ' CE1' HG11 ' A' ' 68' ' ' VAL . 81.9 m-70 -71.95 88.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.788 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -105.05 -12.1 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 65' ' ' TYR . 2.1 t -63.9 120.97 12.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.4 mtt -142.46 63.25 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -138.26 -166.97 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 64.1 tttt -115.26 84.88 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.8 mmtp 163.81 -75.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 -40.13 113.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.6 mtpt -111.47 -10.46 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.7 m -43.7 166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.487 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -51.58 -23.14 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -30.5 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.4 118.35 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.8 t80 -75.69 -36.55 60.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.01 -0.595 . . . . 0.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.649 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -91.74 -3.55 56.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.865 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 15.3 t60 -95.63 -11.71 26.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.998 HG11 ' CE1' ' A' ' 52' ' ' HIS . 31.2 m -104.26 14.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.538 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.73 34.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.4 m80 -158.33 -66.29 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.806 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 74' ' ' THR . 7.3 m-20 -53.35 151.36 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 -27.62 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -23.7 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 71' ' ' ASP . 24.5 p -41.75 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.77 91.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.34 170.2 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -69.31 157.71 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.6 p -118.75 -175.22 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 70.9 m -79.91 -42.4 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 91.9 t -80.88 -32.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.5 -70.51 0.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.994 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.3 t -44.36 -48.72 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.02 -36.74 70.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.784 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 87.1 t -74.94 -33.48 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.429 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -82.3 -18.01 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 82' ' ' CYS . 53.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.3 pptp? -83.98 1.51 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -119.6 6.49 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -130.47 -43.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -74.97 -36.96 62.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 68.7 p -108.52 -0.76 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.33 152.61 20.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.9 m -96.48 -46.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 150.25 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt 50.52 22.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -78.08 164.32 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -62.44 -21.59 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 m -99.1 -58.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.21 58.04 2.44 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.125 0.964 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -40.3 161.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.306 3.337 . . . . 0.0 109.612 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.55 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.04 170.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.12 17.01 6.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.716 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -105.54 125.21 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.953 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.64 140.2 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtp -104.68 118.73 37.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -146.59 58.39 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.09 -16.46 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.419 HG22 ' SD ' ' A' ' 55' ' ' MET . 3.7 p -112.62 -159.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 20.1 mtpt -91.92 23.04 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -146.6 88.91 5.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.41 130.36 22.23 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.612 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.07 119.7 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.953 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -86.96 152.96 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -155.54 118.22 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -104.96 131.3 52.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' HIS . 60.3 m-70 -58.85 -28.92 66.53 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.744 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 p -55.86 -43.07 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 80.7 p -75.8 -4.33 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 60.6 m80 -142.68 44.51 1.61 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.715 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -99.43 101.71 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 t 148.34 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.88 135.83 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -48.99 122.16 5.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.465 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.4 m -53.68 -23.35 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.89 -3.95 69.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -82.34 -32.47 29.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.67 -44.02 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -95.32 82.48 3.72 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.701 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.4 p80 -79.74 154.75 75.9 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 124.21 0.944 . . . . 0.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.42 130.08 14.59 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.375 3.383 . . . . 0.0 109.543 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.9 t -127.57 -77.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -74.16 62.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.24 30.37 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -172.22 131.89 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.9 mt-10 -36.37 120.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.48 130.02 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 6.5 m-85 -126.09 20.47 7.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.2 mtm180 -97.15 175.21 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' ARG . 18.6 mttp -37.77 137.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.7 m -62.8 -47.35 83.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -71.76 -83.37 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.16 167.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.416 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.69 120.83 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.46 -23.32 9.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -110.88 -139.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.945 ' CE1' HG11 ' A' ' 68' ' ' VAL . 64.3 m-70 -60.99 76.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.6 p-10 -106.1 25.14 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -111.96 122.22 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.419 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.3 mtt -127.43 57.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -116.27 -171.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.12 93.81 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER 164.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 124.76 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.63 33.13 4.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -82.02 177.34 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.515 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.67 -5.3 39.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.86 -12.84 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.66 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.8 t80 -64.54 -53.0 54.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.965 -0.617 . . . . 0.0 109.839 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.804 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.5 t80 -75.09 0.09 17.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.904 -0.57 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 13.4 t60 -99.11 -9.3 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.64 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.945 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.1 m -111.74 16.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.617 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.3 23.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.804 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -151.16 -55.63 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.775 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 74' ' ' THR . 2.4 m-20 -52.58 -176.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -147.12 -47.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -49.66 -23.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 71' ' ' ASP . 22.8 p -42.05 164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.56 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -109.77 155.56 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.28 156.83 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 70' ' ' HIS . 9.2 t -121.16 -172.96 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.53 -59.92 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 44.9 t -61.42 -35.87 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.08 -72.57 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.591 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.4 t -44.08 -50.63 8.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.8 -35.82 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.8 t -71.02 -33.27 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.4 -8.84 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 82' ' ' CYS . 99.6 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.47 -18.2 6.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.14 21.23 17.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -137.94 -43.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.4 mt -78.36 -43.77 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 64.6 p -107.84 2.85 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.46 163.04 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.1 m -109.32 -38.84 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -127.79 130.86 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 3.2 ttmt 87.89 -8.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 t -64.86 155.21 34.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.71 -41.81 67.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.03 -57.83 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 108.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.73 64.96 0.81 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.761 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 122.08 0.943 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -41.44 163.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.292 3.328 . . . . 0.0 109.602 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.73 169.27 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -44.95 168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.87 8.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.59 1.181 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.74 121.58 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.829 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.31 144.27 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.97 105.3 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 1.1 mt-10 -132.73 50.53 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.18 42.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.452 HG22 ' SD ' ' A' ' 55' ' ' MET . 3.1 p -106.51 -160.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 10.2 mttp -92.33 24.16 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.55 87.76 5.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 23.3 Cg_exo -65.84 131.0 26.03 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.334 3.356 . . . . 0.0 109.617 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.0 t -139.2 115.03 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.829 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.5 152.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -97.21 134.1 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.4 m-70 -64.93 -31.26 72.41 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.785 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -60.12 -40.46 89.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -78.63 -0.88 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -145.98 49.7 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.78 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -103.65 -15.02 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -98.14 36.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -131.62 145.91 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 120.22 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -54.69 -20.65 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 14.79 61.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.87 -33.46 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.31 -52.11 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -88.66 73.65 8.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.768 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.684 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.9 p80 -68.93 159.61 81.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.163 0.914 . . . . 0.0 109.787 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 22.7 Cg_exo -63.56 129.84 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.305 3.337 . . . . 0.0 109.608 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.684 HG22 ' CE1' ' A' ' 35' ' ' HIS . 10.6 t -136.35 120.5 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.49 35.52 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 40' ' ' LYS . . . 56.63 58.85 12.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 41' ' ' GLU . 13.0 tttm 170.51 104.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.787 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.9 mt-10 -30.6 126.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.3 142.75 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -128.11 19.73 6.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 42.0 mtm180 -88.5 165.77 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.3 mttt -37.42 142.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.2 m -59.94 -41.92 92.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 51' ' ' CYS . . . -77.85 -87.6 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.76 167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.08 125.04 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.43 -15.45 22.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 3.9 m -120.48 -140.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.944 ' CE1' HG11 ' A' ' 68' ' ' VAL . 61.2 m-70 -61.05 82.52 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.713 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -112.06 27.28 9.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -110.87 116.21 30.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.452 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.0 mtt -124.74 55.73 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.26 -169.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.64 93.78 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 170.45 -58.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.83 119.95 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.583 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 10.8 pttt -107.79 23.33 14.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -59.97 -178.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -68.1 -9.93 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -19.82 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.03 117.85 13.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.591 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.7 t80 -67.08 -50.64 61.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.031 -0.584 . . . . 0.0 109.851 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.4 t80 -76.58 -1.15 26.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 12.4 t60 -98.29 -10.24 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.944 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.2 m -109.29 15.57 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.591 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.05 26.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.3 m80 -153.76 -76.22 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.736 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.47 152.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.08 -5.59 10.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.21 43.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.548 HG22 ' CE1' ' A' ' 67' ' ' HIS . 22.0 p -117.45 165.24 13.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.05 92.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 67.5 m-85 -112.99 155.48 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.31 158.88 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.434 ' HB3' ' CA ' ' A' ' 69' ' ' MET . 35.1 m -113.46 -124.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 99.2 m -127.26 -46.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.062 ' O ' HG23 ' A' ' 84' ' ' VAL . 69.2 t -77.75 -32.02 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.8 -70.98 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 t -43.61 -49.83 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.59 -36.5 66.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.712 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.062 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.8 t -70.13 -33.92 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.62 -8.0 59.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.8 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.589 ' HZ3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.78 -17.69 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -105.66 19.05 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -135.36 -43.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.589 HD21 ' HZ3' ' A' ' 93' ' ' LYS . 14.5 mt -78.27 -43.98 26.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 57.5 p -108.71 3.02 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 157.99 9.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.1 m -104.04 -40.5 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.3 tptp -121.37 130.25 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.6 ttmt 87.49 -8.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 107' ' ' GLU . 27.1 t -63.09 153.25 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -40.36 72.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -70.55 -50.12 40.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.93 68.69 0.68 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.723 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.082 0.944 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.6 Cg_exo -40.14 162.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.322 3.348 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -52.97 144.68 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.75 148.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.01 42.63 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -126.9 123.35 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.879 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.82 144.14 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mtp -113.42 112.53 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 14.2 pt-20 -142.38 54.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.3 40.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -93.82 -158.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 9.6 mttt -90.89 31.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -157.38 103.52 1.85 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.1 Cg_endo -80.93 128.24 6.49 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.276 3.317 . . . . 0.0 109.624 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.18 112.34 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.879 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.95 145.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -145.39 115.78 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -90.33 143.18 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -74.79 -24.9 58.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.75 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.0 p -69.56 -21.01 63.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 20.6 p -96.12 -0.55 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -147.06 48.19 1.14 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.752 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -12.11 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 m -90.08 20.85 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 32' ' ' ASP . 53.3 t -131.76 141.75 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.35 139.34 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -58.82 -26.41 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.42 -3.49 58.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' HB3' HG12 ' A' ' 28' ' ' VAL . 5.3 t0 -83.69 -32.36 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.75 -46.11 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -94.33 76.38 3.93 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.772 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CE1' HG22 ' A' ' 37' ' ' VAL . 7.2 p80 -72.18 158.68 87.15 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.192 0.933 . . . . 0.0 109.751 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.22 128.21 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.283 3.322 . . . . 0.0 109.638 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.2 t -128.94 114.5 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.72 35.53 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.15 31.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 41' ' ' GLU . 17.0 tttt 178.29 103.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 40' ' ' LYS . 7.7 mt-10 -31.5 126.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.61 133.81 52.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.16 22.37 6.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.809 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -90.66 171.38 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . 3.1 mtpm? -40.29 122.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 -40.35 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.259 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.16 -93.4 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.521 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 55.44 150.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.46 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 119.63 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.3 -7.01 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 6.4 m -136.57 -138.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.995 ' CE1' HG11 ' A' ' 68' ' ' VAL . 71.4 m-70 -60.91 88.01 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.6 -15.78 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -61.98 122.71 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 mtt -142.08 62.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -131.9 -164.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -124.58 88.16 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 2.4 mmtp 165.84 -74.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.09 128.4 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.75 11.01 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.85 170.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.89 -30.03 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -29.0 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.9 116.36 3.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.79 -44.4 70.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.588 . . . . 0.0 109.827 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.808 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -82.74 -1.36 51.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.819 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' A' ' 74' ' ' THR . 12.8 t60 -97.67 -10.76 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.655 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.995 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.36 13.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -148.35 24.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.808 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.11 -79.91 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.775 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -41.11 151.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -9.82 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -87.34 47.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 67' ' ' HIS . 24.0 p -119.77 164.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -39.69 92.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -114.01 154.14 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -63.12 157.82 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.8 m -113.74 -121.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.93 -46.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.06 ' O ' HG23 ' A' ' 84' ' ' VAL . 72.1 t -76.87 -29.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.16 -70.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 1.015 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.1 t -43.92 -49.19 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -55.73 -36.93 67.79 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.772 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.06 HG23 ' O ' ' A' ' 80' ' ' VAL . 83.1 t -72.85 -34.07 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.2 -7.93 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 82' ' ' CYS . 76.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -77.3 -2.33 34.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -122.77 -1.7 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.457 ' C ' HD23 ' A' ' 97' ' ' LEU . 6.3 m-20 -117.17 -27.35 6.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 97' ' ' LEU . 2.3 mt -93.43 -44.03 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 62.7 p -103.61 -4.8 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.66 149.84 18.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 66.2 m -93.21 -47.19 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 137.56 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 78.79 -0.83 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' GLU . 11.8 t -71.86 148.95 45.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -40.61 59.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.02 -60.45 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 108.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -101.28 61.81 0.94 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.703 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 122.109 0.956 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.712 ' HG2' ' CD2' ' A' ' 22' ' ' HIS . 48.4 Cg_endo -67.35 176.58 4.65 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.354 3.369 . . . . 0.0 109.579 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -101.35 118.3 36.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -38.5 156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.26 18.54 5.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.885 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -96.85 143.52 27.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.12 135.51 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.2 mtp -100.51 96.33 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.3 pt-20 -124.87 44.81 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.08 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 p -113.92 -157.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -92.93 32.43 1.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' ND1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -156.71 91.26 2.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 15.5 Cg_exo -68.05 107.58 1.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.288 3.325 . . . . 0.0 109.636 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 105' ' ' CYS . 47.6 t -112.28 126.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.28 150.47 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.885 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -154.47 117.03 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.96 134.2 48.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.712 ' CD2' ' HG2' ' A' ' 5' ' ' PRO . 49.0 m-70 -63.05 -19.55 64.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -67.75 -27.34 66.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -93.44 -2.97 53.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -146.24 48.92 1.19 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.774 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -105.96 3.7 28.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -113.17 30.3 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -136.16 139.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 130.71 38.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 m -55.96 -26.63 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.18 -4.52 56.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -82.68 -32.53 28.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.21 -45.76 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.239 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -94.55 76.09 3.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.76 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.601 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.8 p80 -70.55 159.28 85.53 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.174 0.921 . . . . 0.0 109.754 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.04 128.7 20.18 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.318 3.345 . . . . 0.0 109.649 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.601 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.3 t -130.12 114.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.93 39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.62 49.68 64.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.9 ttpt -176.63 103.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.774 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' LYS . 22.3 mt-10 -32.02 129.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -114.16 137.78 51.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 10.2 m-85 -129.45 20.73 5.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.796 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.8 mtt180 -87.73 171.11 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.0 mttm -39.63 123.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -42.93 -42.93 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.4 -93.5 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.508 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.88 150.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.12 120.7 15.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.36 -8.27 10.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.0 m -135.98 -138.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.036 ' CE1' HG11 ' A' ' 68' ' ' VAL . 68.4 m-70 -60.01 89.46 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.769 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -105.89 -17.09 14.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 65' ' ' TYR . 1.4 t -61.97 119.33 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.6 mtt -140.17 62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -139.17 177.96 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 19.2 tttt -107.52 83.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 19.1 mttt 163.14 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.11 122.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 61' ' ' SER . 16.7 mmtt -105.24 -141.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 85.44 164.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.97 -26.52 48.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -62.22 -28.97 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.95 116.19 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.8 t80 -67.64 -46.15 73.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.968 -0.616 . . . . 0.0 109.826 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.815 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -80.69 -2.14 45.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.808 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.561 ' CE1' HG22 ' A' ' 74' ' ' THR . 10.5 t60 -98.14 -8.8 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.036 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.7 m -108.59 14.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -149.94 30.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.815 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 71.6 m80 -151.39 -82.11 0.1 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.693 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -49.84 150.81 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -111.4 -23.32 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 67' ' ' HIS . 20.6 p -52.7 165.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -61.85 -39.48 92.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -117.97 157.62 26.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -62.47 158.14 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -116.78 -95.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.1 -47.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.075 ' O ' HG23 ' A' ' 84' ' ' VAL . 48.3 t -72.94 -34.22 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.95 -68.86 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.644 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.9 t -45.13 -47.44 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.36 -34.18 70.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.075 HG23 ' O ' ' A' ' 80' ' ' VAL . 95.6 t -70.8 -39.21 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.43 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -77.56 -8.18 57.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 82' ' ' CYS . 91.2 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' HD2' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.81 -18.22 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -103.35 16.57 26.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LYS . 62.2 m-20 -129.07 -40.44 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.488 HD11 ' HD2' ' A' ' 93' ' ' LYS . 20.6 mt -84.5 -49.05 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 38.5 p -103.37 -0.8 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.1 149.76 41.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.7 m -90.75 -42.54 10.63 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -117.27 135.1 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER 84.51 -5.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 107' ' ' GLU . 20.4 t -69.99 151.45 45.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -43.1 79.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.544 ' O ' HG22 ' A' ' 18' ' ' VAL . 69.4 m -63.73 -54.09 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.427 ' ND1' ' HG3' ' A' ' 16' ' ' GLN . 94.2 m-70 -112.61 67.75 0.66 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.72 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 122.056 0.931 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -40.53 162.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.327 3.351 . . . . 0.0 109.584 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.19 158.54 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.21 168.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.96 9.46 8.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -103.02 126.92 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.705 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.91 135.13 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.87 111.15 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -138.91 52.86 1.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.92 -15.86 52.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -112.58 -156.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -91.0 30.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -158.06 104.85 1.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 59.4 Cg_endo -83.07 113.44 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -116.85 118.31 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.705 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -84.43 149.39 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.688 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -150.01 118.83 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.24 130.12 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -59.21 -22.76 61.54 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.77 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -65.18 -36.21 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.37 0.95 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -149.3 50.66 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.743 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 26.68 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.64 142.47 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 136.32 58.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -59.16 -26.38 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.96 -4.81 63.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.01 -34.41 26.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.55 -49.23 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -90.73 80.03 5.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.793 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.3 p80 -70.0 154.86 94.31 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.102 0.876 . . . . 0.0 109.776 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.4 120.41 5.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.298 3.332 . . . . 0.0 109.615 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -114.96 149.01 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 41.45 29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.54 59.12 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp -179.9 102.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 0.811 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.2 mt-10 -34.83 123.99 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.58 141.9 45.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.75 22.6 3.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.831 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -92.44 172.47 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' ARG . 12.3 mttp -37.77 136.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.44 -45.69 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.08 -84.99 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER 54.03 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 119.52 29.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.2 -19.73 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 m -114.49 -137.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.018 ' CE1' HG11 ' A' ' 68' ' ' VAL . 66.0 m-70 -63.22 79.24 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.735 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.48 26.49 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -102.25 117.48 34.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -132.1 58.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.96 -166.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -124.31 93.5 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.2 mmmt 166.02 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.55 130.57 20.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.575 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 7.9 mttt -127.69 9.04 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -56.17 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -75.23 -3.0 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -87.99 -30.31 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -53.27 117.09 6.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.597 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 1.9 t80 -64.37 -63.4 1.15 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.819 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 66' ' ' TYR . 2.9 p90 -65.38 -8.26 17.77 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.936 -0.554 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 9.1 t-80 -84.77 -28.94 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.018 HG11 ' CE1' ' A' ' 52' ' ' HIS . 32.6 m -93.91 24.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.597 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.29 31.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 73.1 m80 -157.0 -77.26 0.09 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -45.12 147.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -109.24 -7.87 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -88.94 44.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -115.91 165.47 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -39.74 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE2' ' CG ' ' A' ' 35' ' ' HIS . 10.9 m-30 -113.12 161.58 16.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -69.41 158.78 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 p -115.19 -148.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -105.83 -39.93 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.042 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.8 t -80.79 -31.43 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.4 -70.1 1.08 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.987 ' O ' HG23 ' A' ' 86' ' ' VAL . 12.2 t -44.31 -46.59 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.766 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.042 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.3 t -74.37 -36.44 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -78.91 -9.85 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 82' ' ' CYS . 54.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.641 ' HD2' HD11 ' A' ' 97' ' ' LEU . 1.3 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -82.76 4.22 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -126.31 0.67 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.03 -27.77 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.641 HD11 ' HD2' ' A' ' 93' ' ' LYS . 25.2 mt -94.43 -39.9 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 72.5 p -104.43 -0.36 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.2 151.55 49.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.74 -19.27 13.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 23.8 tptp -129.31 123.5 31.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.9 ttmt 81.14 -2.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 41.3 t -71.79 157.49 37.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.32 -28.02 62.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.0 m -81.57 -72.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -90.76 56.51 3.28 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.76 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.056 0.931 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.95 177.6 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.344 3.363 . . . . 0.0 109.571 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -79.32 135.28 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.9 42.84 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.698 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -125.95 128.25 47.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.799 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.29 138.42 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.43 106.92 16.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.6 pt-20 -137.14 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.83 -16.38 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 p -112.97 -160.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 5.4 mtmm -91.9 24.06 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.91 88.9 5.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.06 128.38 18.53 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.288 3.325 . . . . 0.0 109.595 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.98 115.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.799 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.2 147.83 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.698 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -145.41 116.64 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.61 135.46 34.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' LYS . 22.9 m80 -65.67 -34.14 77.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.743 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 p -54.4 -53.87 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -58.63 -17.74 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' HIS . 68.3 m80 -129.03 38.63 3.9 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.719 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.621 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 ttpt -93.94 103.01 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.67 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 t -58.58 133.86 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -49.01 126.18 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.8 -24.25 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.338 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.64 -3.32 58.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -82.71 -33.55 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.63 -42.89 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -96.81 78.69 2.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.768 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.6 p80 -72.69 159.62 84.89 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 109.752 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 20.6 Cg_exo -64.54 132.16 32.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.317 3.345 . . . . 0.0 109.619 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.549 HG22 ' CE1' ' A' ' 35' ' ' HIS . 5.2 t -135.06 110.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.23 39.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.99 48.99 64.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.53 103.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.4 mt-10 -31.99 126.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.54 147.33 34.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -136.32 23.44 3.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -91.15 169.71 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.652 ' HD3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -37.23 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.54 -47.9 83.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.56 -84.45 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.652 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.97 167.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.41 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.62 120.52 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.03 -14.97 13.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -120.07 -139.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.015 ' CE1' HG11 ' A' ' 68' ' ' VAL . 60.0 m-70 -62.2 74.16 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.764 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.6 p-10 -106.0 24.5 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -106.87 123.58 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -130.76 58.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -113.74 171.21 7.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.49 80.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.99 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.39 129.43 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.45 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 14.3 pttt -122.1 27.48 8.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.6 t -69.53 176.99 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.044 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -65.15 -11.99 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 -14.67 43.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.49 119.45 12.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.0 t80 -66.83 -52.91 38.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.829 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.799 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.2 t80 -75.59 -0.63 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.824 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.45 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 3.1 t-80 -98.82 -10.28 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.015 HG11 ' CE1' ' A' ' 52' ' ' HIS . 24.7 m -110.14 17.97 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.626 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.88 25.81 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.799 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -152.18 -72.02 0.15 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.79 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.643 ' HB3' HG23 ' A' ' 74' ' ' THR . 8.9 t0 -40.22 155.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.44 3.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.68 2.29 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' HB3' ' A' ' 71' ' ' ASP . 23.3 p -71.61 165.27 24.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -40.37 96.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -114.05 156.77 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -64.5 158.6 23.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.407 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -117.45 -95.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.8 m -152.28 -47.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.342 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 49.5 t -71.81 -32.93 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.9 -71.48 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 t -44.04 -46.63 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -60.08 -37.07 78.8 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.764 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 54.9 t -67.52 -32.97 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.8 -21.83 34.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 82' ' ' CYS . 64.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -58.82 -16.45 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.63 17.85 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.15 -43.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 mt -78.52 -47.28 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 49.9 p -104.84 -2.72 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.32 158.94 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 22.6 m -105.54 -40.76 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 7.5 tppt? -123.57 128.92 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 89.38 -4.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.4 t -68.46 155.05 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.39 -39.83 70.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.5 m -69.92 -59.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.44 62.21 0.85 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.739 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.348 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.059 0.933 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.28 178.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.47 141.91 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.02 29.17 2.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -110.5 123.99 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.252 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.898 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.53 145.91 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.0 mtp -111.63 113.1 25.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.5 pt-20 -140.71 54.66 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.13 -24.69 34.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.516 HG22 ' SD ' ' A' ' 55' ' ' MET . 4.0 p -104.82 -159.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -90.23 13.29 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.91 88.91 21.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.39 129.53 20.44 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 124.326 3.351 . . . . 0.0 109.601 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.78 120.86 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.898 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.03 152.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.35 117.09 4.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.62 134.07 44.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -63.23 -22.69 67.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.74 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -65.66 -33.76 76.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 p -86.47 0.15 54.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -147.16 50.02 1.1 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.801 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.77 0.17 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.6 m -107.51 26.95 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.5 t -134.23 142.21 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -58.24 131.53 50.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.15 -24.91 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.74 60.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.4 -34.45 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.95 -45.87 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.93 84.31 5.33 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.745 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 p80 -82.06 157.54 68.48 Favored Pre-proline 0 CA--C 1.54 0.576 0 O-C-N 124.127 0.892 . . . . 0.0 109.722 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.4 Cg_exo -64.2 140.42 71.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 42' ' ' ASP . 3.4 t -136.49 -74.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLY . 2.3 m-20 -88.28 67.07 8.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ASN . . . 36.1 37.41 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.8 tttt -176.81 105.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.791 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.605 ' C ' ' O ' ' A' ' 40' ' ' LYS . 35.3 mt-10 -20.46 115.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.523 ' HB2' HG23 ' A' ' 37' ' ' VAL . 1.1 m-20 -94.52 149.53 21.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -135.29 24.31 3.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.803 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.1 mtt180 -91.97 168.95 11.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.773 ' HD3' HG23 ' A' ' 48' ' ' THR . 1.8 mptp? -37.54 140.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.8 m -60.89 -46.63 89.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.26 -85.18 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.773 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.32 167.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.373 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.64 122.07 30.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.79 -21.04 11.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -114.18 -139.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.959 ' CE1' HG11 ' A' ' 68' ' ' VAL . 62.7 m-70 -61.8 77.87 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.747 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.1 p-10 -108.09 24.77 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 124.39 51.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.516 ' SD ' HG22 ' A' ' 14' ' ' THR . 3.2 mtt -132.47 58.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.75 -169.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.1 tptm -129.81 93.07 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 168.46 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.74 122.51 19.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.4 mttm -115.34 27.94 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.529 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 3.1 t -74.28 -174.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.33 -4.92 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -92.02 -11.61 35.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -71.45 117.21 6.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.5 t80 -65.71 -56.39 12.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.013 -0.594 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.789 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -72.86 -1.99 18.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.821 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 21.2 t60 -97.93 -11.06 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.959 HG11 ' CE1' ' A' ' 52' ' ' HIS . 28.1 m -109.8 20.47 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.593 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -155.68 29.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.1 m80 -153.61 -76.55 0.12 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.735 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.94 153.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -114.58 -10.79 12.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.51 44.79 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -115.8 166.17 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -113.82 156.87 23.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -64.88 158.15 25.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 p -114.64 -149.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -105.28 -40.42 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.043 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.4 t -80.58 -31.0 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.02 -71.7 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.2 t -43.95 -47.09 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.97 -36.14 72.17 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.801 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.5 t -69.87 -41.52 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.88 -2.31 26.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 82' ' ' CYS . 98.4 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.806 ' HD2' HD11 ' A' ' 97' ' ' LEU . 4.4 ttmm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.52 -17.08 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.57 15.68 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.67 -43.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.806 HD11 ' HD2' ' A' ' 93' ' ' LYS . 12.5 mt -80.62 -45.75 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.7 p -108.3 3.65 23.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.24 157.62 18.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.02 -41.87 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 2.0 tptp -120.93 133.15 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 5.0 tptt 86.34 -7.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 26.4 t -65.9 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.6 -42.34 96.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.0 m -67.63 -56.89 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -107.46 65.37 0.65 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.042 0.925 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -43.83 162.24 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.317 3.345 . . . . 0.0 109.586 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.91 140.38 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.87 167.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.29 23.02 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -108.24 124.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.915 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.2 135.42 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.41 116.99 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -146.21 56.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.9 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.532 HG22 ' SD ' ' A' ' 55' ' ' MET . 3.2 p -91.69 -156.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -91.11 24.48 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -150.17 105.36 3.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.9 Cg_endo -81.12 131.4 7.79 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.303 3.336 . . . . 0.0 109.632 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -135.85 113.16 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.915 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -80.92 149.85 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -151.41 118.51 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' OG1' ' A' ' 24' ' ' THR . 19.5 m-20 -96.53 135.51 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.7 m-70 -66.76 -29.8 69.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -64.21 -34.54 78.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.934 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 15.8 p -84.35 5.16 28.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -151.17 51.27 0.84 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.765 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -20.59 14.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t -93.77 40.46 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -135.59 144.06 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.22 118.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HG ' ' HH ' ' A' ' 43' ' ' TYR . 13.3 t -54.7 -20.5 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.59 14.2 62.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.6 -37.65 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.08 -47.95 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.22 78.55 4.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.787 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.6 p80 -71.67 159.97 83.95 Favored Pre-proline 0 CA--C 1.54 0.573 0 O-C-N 124.08 0.863 . . . . 0.0 109.708 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 23.0 Cg_exo -63.49 132.1 34.36 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.265 3.31 . . . . 0.0 109.601 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 35' ' ' HIS . 11.4 t -138.1 122.99 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' OD1' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER 63.46 38.8 9.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.98 58.23 12.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.0 ttmm 171.62 102.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.5 mt-10 -28.72 127.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.13 147.57 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HH ' ' HG ' ' A' ' 30' ' ' CYS . 15.4 m-85 -135.43 25.08 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.806 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.3 mtm180 -92.34 169.28 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ARG . 20.6 mttt -37.64 141.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.95 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.29 -85.43 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 54.33 166.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.386 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.56 120.44 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.66 -14.79 12.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -121.02 -139.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.939 ' CE1' HG11 ' A' ' 68' ' ' VAL . 59.1 m-70 -61.59 75.38 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.752 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.5 p-10 -105.34 23.63 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 t -111.01 124.52 52.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.532 ' SD ' HG22 ' A' ' 14' ' ' THR . 3.0 mtt -129.26 57.47 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.65 169.71 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 2.4 tptp -123.7 92.04 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mtpt 164.28 -36.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.37 94.99 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -68.89 -119.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.5 m 84.85 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.13 -4.71 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -14.7 26.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.14 118.64 8.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.59 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.5 t80 -66.34 -54.09 28.62 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.006 -0.597 . . . . 0.0 109.804 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.806 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.9 t80 -74.79 -0.3 17.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.826 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 16.0 t60 -100.03 -7.49 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.939 HG11 ' CE1' ' A' ' 52' ' ' HIS . 30.6 m -113.42 18.06 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.59 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.96 26.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.806 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.99 -80.92 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.747 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.72 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.45 -8.98 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -88.01 45.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 p -118.29 165.25 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -40.61 93.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -118.11 150.2 39.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -60.23 157.3 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -111.88 -95.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.9 m -153.69 -47.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 1.054 ' O ' HG23 ' A' ' 84' ' ' VAL . 56.1 t -71.18 -36.37 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.44 -69.69 1.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.476 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.7 t -44.25 -47.8 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -58.95 -36.46 74.83 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.771 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.4 t -67.22 -31.38 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.2 -22.56 28.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 82' ' ' CYS . 65.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.692 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 19.0 mtpp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.85 -8.75 38.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.5 15.95 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -135.32 -44.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.692 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 15.9 mt -75.94 -41.19 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 53.0 p -109.07 2.22 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -52.96 159.86 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.8 m -106.19 -38.09 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 12.1 tptp -124.36 127.11 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.0 tptm 85.13 -1.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 t -63.2 159.88 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.72 -44.92 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.05 67.14 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.735 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.026 0.917 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 33.5 Cg_endo -82.83 -162.72 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.309 3.339 . . . . 0.0 109.638 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -129.09 117.49 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -37.4 99.09 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 3' ' ' LYS . 48.6 Cg_exo -49.21 165.71 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.286 3.324 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.28 144.36 32.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.95 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.19 20.79 5.46 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.619 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -105.64 126.59 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.909 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.34 141.83 45.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.5 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.4 mtp -107.95 119.06 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -147.39 57.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.6 -36.16 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.483 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.7 p -91.06 -156.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.45 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 9.2 mttt -91.31 24.12 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.64 104.18 3.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.3 Cg_endo -80.73 131.97 8.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 105' ' ' CYS . 88.6 t -136.73 116.99 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.909 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -83.19 150.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -153.1 116.79 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.46 126.25 49.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -54.07 -28.34 38.38 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -58.35 -42.87 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.9 p -77.2 -2.9 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -144.33 48.32 1.37 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.724 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -105.05 5.18 32.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 31.41 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -137.19 139.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -54.82 127.64 29.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.37 -25.07 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.03 -2.47 62.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -83.3 -37.54 23.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -102.11 -44.22 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -95.09 78.39 3.54 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.75 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.626 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.6 p80 -70.28 155.03 94.08 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 0.0 109.775 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -75.67 121.39 6.29 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.306 3.338 . . . . 0.0 109.604 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.626 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -114.85 148.76 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.9 m120 40.08 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.83 60.5 6.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' GLU . 15.7 ttpt 178.88 103.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.2 mt-10 -33.37 124.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.644 ' OD2' HMC2 ' A' ' 109' ' ' HEC . 33.2 t70 -109.36 134.15 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -129.8 22.69 5.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.823 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.7 mtt180 -95.14 171.46 8.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.594 ' O ' HMC3 ' A' ' 109' ' ' HEC . 5.2 mttp -37.59 136.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.49 -46.01 91.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -73.68 -84.6 0.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.74 167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.8 120.86 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.83 -24.06 9.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.127 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -107.94 -135.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.049 ' CE1' HG11 ' A' ' 68' ' ' VAL . 74.3 m-70 -64.94 86.09 0.05 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.744 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.61 -17.97 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' TYR . 2.6 t -62.85 120.61 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.6 mtt -137.84 61.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -126.86 171.56 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.8 ttpm? -107.99 79.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 163.21 -80.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.89 128.62 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 61' ' ' SER . 6.3 mtmm -103.09 -137.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER 86.48 167.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -64.68 -30.7 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -29.58 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.98 114.65 3.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.9 t80 -65.64 -48.86 70.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -0.604 . . . . 0.0 109.812 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.1 t80 -78.64 -1.65 35.3 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.831 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 61' ' ' SER . 18.7 t60 -97.21 -11.62 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.049 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.9 m -106.16 15.67 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.565 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.068 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -155.29 -73.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.78 149.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 -14.53 13.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -87.61 46.48 1.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.3 p -116.64 165.19 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.05 92.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -112.28 157.17 21.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 157.94 31.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.732 ' O ' HMC3 ' A' ' 110' ' ' HEC . 17.4 p -115.52 -148.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 74.1 m -105.75 -40.11 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.251 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.059 ' O ' HG23 ' A' ' 84' ' ' VAL . 73.1 t -80.56 -31.42 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.02 -71.23 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.764 ' O ' HG23 ' A' ' 86' ' ' VAL . 9.1 t -44.16 -46.43 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.69 -35.94 73.41 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.702 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.059 HG23 ' O ' ' A' ' 80' ' ' VAL . 73.4 t -70.0 -42.33 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.12 -2.95 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 82' ' ' CYS . 93.5 t -113.04 -58.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.066 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -77.99 56.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.12 24.98 4.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 -30.25 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.61 151.27 49.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -98.42 29.21 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.74 -61.65 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.806 ' HD2' HD11 ' A' ' 97' ' ' LEU . 4.6 ttmm -62.6 -23.85 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.455 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.47 -17.14 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.76 15.99 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -129.96 -43.65 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.066 HD12 ' HB2' ' A' ' 87' ' ' ALA . 11.1 mt -80.27 -46.51 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.6 p -107.04 3.02 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.43 154.77 25.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.832 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 54.7 m -98.71 -44.38 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.8 tptp -118.95 133.97 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 86.49 -8.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.7 t -65.91 158.77 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.968 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.1 OUTLIER -60.68 -41.31 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.405 ' HA ' HG13 ' A' ' 18' ' ' VAL . 34.8 m -67.81 -60.17 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -101.58 62.73 0.94 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.72 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.999 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.644 HMC2 ' OD2' ' A' ' 42' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.049 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.835 HBC3 HMC1 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 122.092 0.948 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 37.3 Cg_endo -82.07 155.42 17.27 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.31 3.34 . . . . 0.0 109.582 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -83.75 153.05 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.32 135.35 2.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.93 176.89 9.45 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.92 147.94 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.24 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 17.83 6.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD11 HAD2 ' A' ' 108' ' ' HEC . 0.1 OUTLIER -103.35 120.88 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.967 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.97 139.79 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.532 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 1.6 mtp -105.55 119.57 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -147.7 58.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.01 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.53 HG23 ' O1D' ' A' ' 111' ' ' HEC . 4.0 p -93.26 -156.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.0 mtmt -91.04 22.89 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.87 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.331 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 83.5 Cg_endo -80.72 130.64 7.8 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.325 3.35 . . . . 0.0 109.548 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.12 117.87 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.967 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -83.61 149.24 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -154.33 116.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.69 131.54 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.72 -31.47 69.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.757 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -56.51 -41.05 76.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -81.01 1.26 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.3 49.76 1.1 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.776 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.42 -11.49 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 31.43 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 t -136.83 134.49 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.03 129.42 30.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.45 -25.6 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 108.245 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.01 -3.2 67.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.27 -32.15 29.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -108.73 -45.55 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -93.92 75.36 4.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.781 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.8 p80 -69.74 159.1 85.26 Favored Pre-proline 0 CA--C 1.539 0.553 0 O-C-N 124.131 0.894 . . . . 0.0 109.762 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.3 Cg_exo -65.88 128.69 20.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.322 3.348 . . . . 0.0 109.589 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.098 HG11 HBC2 ' A' ' 109' ' ' HEC . 2.9 t -129.71 119.16 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 62.52 41.52 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.83 56.54 20.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp 176.46 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.1 mt-10 -31.87 129.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -113.43 139.1 49.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.07 20.69 4.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.814 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.4 mtt180 -88.82 171.1 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' HMC3 ' A' ' 109' ' ' HEC . 16.6 mttt -39.77 123.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 m -43.27 -41.65 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.17 -94.18 0.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 56.46 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.15 119.86 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.92 -11.1 8.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.6 m -133.27 -138.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.971 ' CE1' HG11 ' A' ' 68' ' ' VAL . 70.5 m-70 -60.58 87.38 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -104.42 -17.61 14.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.53 124.64 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.1 mtt -141.81 63.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -137.46 -172.1 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -118.46 90.26 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 4.2 mttt 170.08 -73.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.31 126.65 28.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.7 mtmt -117.19 9.96 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -58.89 169.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.24 -31.62 44.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -30.83 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.03 116.11 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.4 t80 -69.81 -41.17 75.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.997 -0.601 . . . . 0.0 109.838 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.788 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -85.3 -2.81 58.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.847 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' A' ' 74' ' ' THR . 14.8 t60 -96.08 -11.32 26.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.971 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -105.77 16.08 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.542 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.38 30.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.788 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 77.8 m80 -155.38 -75.08 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.79 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.68 155.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -8.89 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.18 50.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 67' ' ' HIS . 22.9 p -118.45 165.4 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.02 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.12 169.0 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -74.2 158.62 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.675 ' O ' HMC3 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -120.22 -154.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.447 ' HB3' HBC2 ' A' ' 111' ' ' HEC . 72.8 m -95.78 -52.33 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 108.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.045 ' O ' HG23 ' A' ' 84' ' ' VAL . 83.7 t -72.92 -28.96 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.22 -73.33 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.5 t -43.4 -49.34 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -55.31 -37.65 67.65 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.774 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 80' ' ' VAL . 58.1 t -70.41 -39.68 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.74 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 82' ' ' CYS . 77.9 t -98.99 -54.65 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.593 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -85.59 166.47 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.29 67.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -123.98 150.99 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.7 27.26 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.27 -70.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -55.21 -29.14 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.13 -8.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -115.14 15.76 17.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HB3' ' CE ' ' A' ' 104' ' ' LYS . 43.0 m-20 -136.67 -46.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.606 ' O ' HMC1 ' A' ' 111' ' ' HEC . 17.2 mt -70.65 -43.28 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 76.3 p -100.74 -4.97 27.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -66.36 159.3 47.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -75.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 122.02 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt 60.75 41.46 14.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -105.63 -172.74 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.733 ' O ' HMA3 ' A' ' 110' ' ' HEC . 53.8 mmtt -91.37 30.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 104' ' ' LYS . 96.4 m -152.19 -62.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.44 59.03 1.1 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.797 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.015 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.098 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.041 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.606 HMC1 ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.561 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 122.045 0.926 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 39.3 Cg_endo -83.67 -161.81 0.15 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 0.0 109.574 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' ALA . 8.2 mtpm? -110.71 154.6 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -39.6 127.02 1.46 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.28 177.73 8.4 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 0.0 109.587 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.69 145.38 25.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.23 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.91 21.28 5.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.99 130.79 51.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.651 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -139.82 137.43 34.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.556 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.5 mtp -105.95 115.01 29.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 7.1 pt-20 -144.24 55.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.91 29.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.434 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.5 p -97.03 -157.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 20.8 mttt -90.79 22.51 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -149.03 104.14 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.8 Cg_endo -80.61 132.43 8.86 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.37 3.38 . . . . 0.0 109.586 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.13 120.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.67 149.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -155.13 115.53 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.37 131.82 44.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -59.61 -23.08 62.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.798 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.4 p -65.44 -36.29 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -83.99 -0.72 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -146.17 48.83 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.778 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 1.6 29.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.22 28.12 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.47 138.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 130.22 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -55.01 -26.78 39.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.305 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.51 -3.07 57.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -83.01 -35.82 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.712 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -104.51 -44.41 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -95.96 77.42 3.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.788 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.811 ' CE1' HG22 ' A' ' 37' ' ' VAL . 8.4 p80 -70.38 154.79 94.24 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 124.12 0.888 . . . . 0.0 109.805 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.41 120.18 5.83 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 0.0 109.608 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.811 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -119.12 145.47 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.61 25.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.99 60.15 6.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.1 tttp 176.69 102.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' LYS . 31.5 mt-10 -35.26 123.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 40' ' ' LYS . 3.3 m-20 -112.48 133.48 54.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.55 20.54 8.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -86.49 170.37 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' CYS . 25.8 mttp -40.29 119.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LYS . 64.2 m -41.18 -39.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.84 -92.61 0.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 54.87 150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 0.729 . . . . 0.0 110.394 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.23 120.26 16.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.05 -15.78 8.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 9.5 m -125.99 -136.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.027 ' CE1' HG11 ' A' ' 68' ' ' VAL . 75.5 m-70 -61.71 88.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.77 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.37 -16.66 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -62.73 123.65 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.2 mtt -140.73 62.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -130.35 -166.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -124.43 89.18 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 14.8 mtpt 165.61 -74.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.52 130.13 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -120.89 11.63 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 t -59.32 169.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.84 -29.03 59.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.8 115.79 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.18 -43.32 74.44 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.007 -0.597 . . . . 0.0 109.793 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.6 t80 -84.38 -0.91 54.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.875 -0.583 . . . . 0.0 109.812 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.0 t60 -97.29 -11.45 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.027 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.07 14.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.0 30.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.1 m80 -156.95 -73.05 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.41 151.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.63 -17.47 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.58 48.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.518 HG22 ' O1A' ' A' ' 109' ' ' HEC . 21.3 p -116.9 165.47 13.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -40.38 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.07 160.72 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -67.01 158.09 31.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.723 ' O ' HMC3 ' A' ' 110' ' ' HEC . 10.0 p -116.39 -149.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.5 m -104.9 -41.25 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.04 ' O ' HG23 ' A' ' 84' ' ' VAL . 73.7 t -80.47 -30.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.32 -72.01 0.65 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.795 ' O ' HG23 ' A' ' 86' ' ' VAL . 11.4 t -43.55 -47.84 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.63 -37.24 70.47 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.731 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.7 t -70.63 -40.58 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.09 -4.91 41.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 82' ' ' CYS . 76.8 t -105.15 -57.41 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -77.63 165.69 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.6 -36.97 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.93 -24.54 58.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 93' ' ' LYS . 26.9 t0 -120.95 134.42 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -68.91 -64.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.99 -50.24 5.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 7.9 ttmm -56.92 -37.84 72.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -76.42 -1.43 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 1.19 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -116.81 -31.51 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 87' ' ' ALA . 35.8 mt -90.84 -43.5 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -107.79 1.39 22.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.02 159.1 4.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.803 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 36.8 m -104.86 -42.76 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 26.5 tptt -125.63 127.83 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 90.62 7.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 48.0 t -84.21 160.11 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.983 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -57.41 -39.34 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.9 m -70.68 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -97.78 60.79 1.54 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.995 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.712 HBB2 ' O ' ' A' ' 33' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.035 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.803 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.108 0.956 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' O ' HMB2 ' A' ' 108' ' ' HEC . 38.6 Cg_endo -85.21 62.9 5.97 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.338 3.359 . . . . 0.0 109.585 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -40.35 135.23 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 143.52 75.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.29 177.43 8.77 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -85.31 147.92 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.16 168.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 15.05 7.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.12 123.34 45.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.866 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.55 142.43 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.483 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.4 mtp -109.63 120.86 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -148.83 59.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.61 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.586 HG23 ' O1D' ' A' ' 111' ' ' HEC . 2.7 p -101.66 -156.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 5.2 mttt -91.81 27.31 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.545 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.2 OUTLIER -155.78 104.79 2.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 97.7 Cg_endo -78.96 134.2 11.66 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.29 3.327 . . . . 0.0 109.629 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.67 112.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.866 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -80.78 150.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.85 116.74 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.85 131.6 45.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -58.81 -27.49 65.11 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.828 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -60.5 -39.82 89.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.0 p -80.97 0.79 33.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -146.71 49.44 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.775 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -106.03 2.84 27.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -111.61 29.6 7.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -136.26 137.41 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.87 127.16 24.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.94 -25.18 19.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 108.301 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.0 -3.77 65.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -82.12 -36.18 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -103.84 -43.03 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -97.05 78.07 2.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.8 p80 -68.86 154.66 94.62 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.156 0.91 . . . . 0.0 109.781 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -75.87 120.91 5.97 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.345 3.363 . . . . 0.0 109.609 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.548 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.68 147.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.4 m120 39.97 33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.98 58.59 12.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.5 ttmt -178.1 102.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.7 mt-10 -34.91 124.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -109.92 136.42 49.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.14 22.86 4.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.806 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.4 mtt180 -95.0 173.15 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.624 ' O ' HMC3 ' A' ' 109' ' ' HEC . 0.7 OUTLIER -37.63 136.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.65 -44.7 96.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.47 -85.02 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.17 167.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.76 121.83 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.52 -24.4 9.75 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.7 m -108.34 -137.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.051 ' CE1' HG11 ' A' ' 68' ' ' VAL . 68.0 m-70 -63.08 78.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.77 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -106.29 23.97 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -110.81 121.29 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.2 mtt -127.46 56.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -107.78 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.6 tttp -116.06 82.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 6.8 mttt 165.48 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -39.61 128.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.1 mtmp? -112.91 23.11 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -72.95 159.17 34.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.572 ' CB ' ' CBD' ' A' ' 109' ' ' HEC . . . -52.78 -32.32 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -26.08 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.01 117.35 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.555 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.2 t80 -66.11 -50.86 62.57 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.978 -0.611 . . . . 0.0 109.821 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.803 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.4 t80 -77.82 0.0 25.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.6 t60 -98.77 -10.43 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.051 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.9 m -108.98 16.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.555 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.803 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.9 m80 -156.06 -72.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.749 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.39 149.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' N ' ' CD ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -110.5 -15.83 13.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.21 47.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.48 HG22 ' O1A' ' A' ' 109' ' ' HEC . 20.9 p -115.8 166.25 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -41.16 96.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 11.0 m-85 -110.9 165.5 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -71.21 157.75 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.867 ' O ' HMC3 ' A' ' 110' ' ' HEC . 5.6 p -115.72 -155.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.8 m -105.95 -37.37 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.933 ' O ' HG23 ' A' ' 84' ' ' VAL . 67.1 t -88.07 -7.96 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -83.93 -70.86 1.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 1.04 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.6 t -45.9 -38.2 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.45 -37.1 79.89 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.761 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 80' ' ' VAL . 64.4 t -72.67 -32.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.32 -4.94 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 82' ' ' CYS . 71.7 t -92.12 -57.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.67 172.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.37 -50.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.36 -32.05 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -76.74 83.18 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -52.93 -48.99 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.91 -49.29 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 5.4 mtpp -59.49 -32.56 70.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -72.65 -5.13 35.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -122.39 -1.16 9.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.71 -30.25 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.604 ' O ' HMC1 ' A' ' 111' ' ' HEC . 1.6 mt -90.31 -42.55 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -105.45 -1.72 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.17 156.23 1.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.769 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 29.6 m -103.4 -42.68 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.4 tppt? -127.0 129.83 48.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 10.0 ttpt 90.32 -1.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 43.5 t -75.98 158.94 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.954 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -54.7 -36.62 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.7 m -74.89 -61.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -103.96 64.58 0.79 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.731 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.043 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.624 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.032 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.78 HBC3 HMC1 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 122.089 0.947 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 47.6 Cg_endo -91.87 110.86 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.303 3.335 . . . . 0.0 109.593 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -51.02 -179.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.61 143.69 27.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.51 177.58 8.2 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -88.6 150.02 23.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.3 m-20 -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.33 7.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -99.03 120.58 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.853 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.79 139.13 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.484 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -105.8 116.38 31.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -144.13 55.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.578 HG23 ' O1D' ' A' ' 111' ' ' HEC . 2.2 p -103.97 -157.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 13.4 mtmt -91.14 29.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.2 OUTLIER -157.23 104.35 1.87 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 95.8 Cg_endo -78.7 129.51 9.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.303 3.335 . . . . 0.0 109.622 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.32 112.07 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.853 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -80.92 149.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -153.03 116.29 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.11 129.18 46.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 25.7 m80 -58.99 -19.7 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.749 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -64.89 -43.98 91.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.2 p -77.62 -2.4 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -142.5 47.35 1.58 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.79 3.7 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.29 31.05 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -136.12 144.13 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -58.46 126.12 26.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.06 -24.16 23.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.81 -2.3 64.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.65 -37.78 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.2 m -100.99 -45.61 5.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.36 77.11 3.92 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.763 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.761 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.2 p80 -68.86 154.66 94.63 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.199 0.937 . . . . 0.0 109.775 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.83 118.2 5.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.316 3.344 . . . . 0.0 109.633 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.761 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.4 t -114.68 147.51 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 43.14 28.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.94 58.5 9.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.2 tttp -179.81 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.8 mt-10 -34.84 124.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.76 138.62 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -130.08 13.64 5.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.57 176.89 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.239 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' O ' HMC3 ' A' ' 109' ' ' HEC . 10.1 mttm -46.74 133.49 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.2 -27.41 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -116.63 49.17 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.81 148.23 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 130.19 14.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . . . 97.46 14.44 41.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 50' ' ' GLY . 24.0 m -150.98 -133.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.951 ' CE1' HG11 ' A' ' 68' ' ' VAL . 80.9 m-70 -69.52 91.5 0.58 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.793 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 17.89 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -91.26 115.13 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.73 59.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -139.47 -167.49 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.69 89.01 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 7.0 mttt 170.23 -74.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 -40.37 130.99 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.29 3.68 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 178.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.519 ' CB ' ' O1A' ' A' ' 109' ' ' HEC . . . -62.09 -14.7 39.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -70.81 -35.5 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.58 121.97 1.98 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.2 t80 -78.71 -41.49 30.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.991 -0.605 . . . . 0.0 109.834 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.742 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -85.91 -5.5 59.22 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.871 -0.585 . . . . 0.0 109.824 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -94.0 -10.75 32.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.559 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.951 HG11 ' CE1' ' A' ' 52' ' ' HIS . 20.9 m -105.83 16.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.55 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.46 34.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.742 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.3 m80 -156.54 -63.58 0.1 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB3' HG23 ' A' ' 74' ' ' THR . 0.4 OUTLIER -55.7 170.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 74' ' ' THR . 4.8 pttt -126.94 -44.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -45.45 -26.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.579 HG23 ' HB3' ' A' ' 71' ' ' ASP . 20.8 p -40.91 162.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -37.3 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -114.54 165.68 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.09 158.14 36.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.757 ' O ' HMC3 ' A' ' 110' ' ' HEC . 52.6 p -113.83 -149.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.957 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 69.8 m -106.06 -37.26 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.061 ' O ' HG23 ' A' ' 84' ' ' VAL . 91.2 t -82.16 -34.1 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -54.65 -71.07 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.625 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.9 t -43.95 -47.74 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.36 -35.98 70.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.061 HG23 ' O ' ' A' ' 80' ' ' VAL . 82.6 t -70.29 -35.86 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.45 -11.22 59.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 82' ' ' CYS . 90.8 t -104.71 -56.85 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.056 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -78.19 55.78 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.85 25.64 4.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.28 -32.92 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 0.764 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -126.63 148.73 49.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.26 24.35 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.5 -66.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -26.4 52.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.93 -17.9 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.11 17.2 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -43.71 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.056 HD12 ' HB2' ' A' ' 87' ' ' ALA . 13.6 mt -79.78 -45.58 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.8 p -108.02 1.87 22.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.02 150.86 45.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.587 1.179 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.84 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 73.6 m -93.39 -47.32 6.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 136.39 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 81.03 -3.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 24.4 t -70.53 153.72 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.957 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -57.95 -41.91 83.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.3 m -68.06 -59.26 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.429 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 91.8 m-70 -105.96 64.61 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.766 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.007 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.591 HBB3 HMB1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.054 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.84 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 122.079 0.942 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.73 130.76 12.7 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.352 3.368 . . . . 0.0 109.583 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.796 ' O ' HMB2 ' A' ' 108' ' ' HEC . 0.0 OUTLIER -70.38 -168.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -112.85 90.5 15.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 64.5 Cg_exo -40.08 161.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.287 3.325 . . . . 0.0 109.637 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.48 146.95 46.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.29 167.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.04 29.46 2.17 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -113.94 121.81 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.954 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.76 144.79 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 1.7 mtp -111.59 118.11 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -146.51 57.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.28 -36.19 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.596 HG23 ' O2D' ' A' ' 111' ' ' HEC . 2.6 p -91.99 -157.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 20.5 mtpt -90.5 30.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.16 103.89 2.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 96.8 Cg_endo -80.46 130.12 7.81 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.31 3.34 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.7 t -135.23 115.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.239 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.954 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -84.14 146.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -147.37 116.53 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -95.55 133.31 39.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -65.22 -28.7 69.55 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.767 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.3 p -62.72 -37.67 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 p -82.05 2.19 32.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -147.33 48.84 1.11 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -11.21 17.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p -93.76 23.9 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.58 137.04 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.63 132.17 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.2 m -54.73 -25.25 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.74 -2.32 60.59 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' OD2' ' CBC' ' A' ' 110' ' ' HEC . 9.7 t70 -83.34 -33.94 25.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.678 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -107.68 -44.41 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -94.33 81.66 4.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CE1' HG22 ' A' ' 37' ' ' VAL . 8.8 p80 -80.39 157.44 72.78 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.192 0.933 . . . . 0.0 109.74 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.5 Cg_exo -65.63 136.05 44.5 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.336 3.358 . . . . 0.0 109.573 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.955 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.4 t -135.8 -76.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.62 66.25 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 29.5 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.83 135.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.9 mt-10 -35.74 119.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -100.22 144.22 29.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 9.4 m-85 -131.66 24.44 4.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -91.11 168.92 11.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.54 ' O ' HMC3 ' A' ' 109' ' ' HEC . 31.2 mttt -39.27 130.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.9 m -49.89 -41.42 45.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 108.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.61 -93.14 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.524 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.17 150.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.409 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.92 119.95 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.88 -9.83 9.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.3 m -133.52 -139.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.835 ' CE1' HG11 ' A' ' 68' ' ' VAL . 63.1 m-70 -61.3 76.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.9 p-10 -106.52 23.38 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -109.0 124.49 50.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.537 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.1 mtt -128.82 57.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.56 -166.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 3.4 tptp -143.57 97.81 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 13.7 tttm 164.39 -41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -87.75 118.66 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.73 48.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 6.5 t -95.59 178.94 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -74.65 -5.51 43.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -91.41 -4.33 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.083 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.76 121.81 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.601 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -70.97 -52.76 17.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.846 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.812 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.6 t80 -77.66 0.89 21.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.452 ' ND1' ' OD2' ' A' ' 71' ' ' ASP . 15.2 t60 -99.76 -9.32 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.835 HG11 ' CE1' ' A' ' 52' ' ' HIS . 28.5 m -111.57 16.33 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.601 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.44 26.91 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.812 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -154.6 -70.44 0.13 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.787 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 2.6 m-20 -45.88 152.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -118.0 -4.38 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -97.2 49.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 p -119.82 164.43 16.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -62.88 -39.64 95.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.66 159.47 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 159.73 32.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.742 ' O ' HMC3 ' A' ' 110' ' ' HEC . 0.7 OUTLIER -119.97 -148.22 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 75.8 m -102.7 -49.72 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.05 ' O ' HG23 ' A' ' 84' ' ' VAL . 82.7 t -75.34 -28.11 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -58.06 -72.18 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.878 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.9 t -43.66 -48.91 7.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.45 -37.11 64.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.744 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.05 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.0 t -73.06 -34.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.74 -4.13 57.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 82' ' ' CYS . 55.8 t -90.52 -52.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 86' ' ' VAL . . . -45.33 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.46 -61.35 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.49 28.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -99.32 126.8 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.8 23.72 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.63 -55.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -64.25 -28.84 70.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -78.22 -1.15 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -123.68 -1.29 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.465 ' C ' HD23 ' A' ' 97' ' ' LEU . 5.9 m-20 -117.48 -27.54 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.588 ' O ' HMC1 ' A' ' 111' ' ' HEC . 2.8 mt -94.17 -42.41 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.0 p -106.09 -0.69 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.71 155.97 3.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.754 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 41.3 m -101.28 -42.7 6.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.1 tptp -125.76 133.83 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 87.73 -6.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 47.7 t -70.42 158.51 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.96 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.3 OUTLIER -56.15 -36.41 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.8 -65.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -98.93 60.96 1.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.766 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.99 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.955 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.036 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.754 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 122.048 0.928 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.83 -19.27 31.23 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.314 3.343 . . . . 0.0 109.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 62.46 137.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.12 121.3 23.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.49 177.57 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.294 3.33 . . . . 0.0 109.623 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -86.89 144.84 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.46 43.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.76 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -131.55 132.45 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.72 134.64 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.47 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.4 OUTLIER -108.23 82.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.5 pt-20 -118.22 38.47 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.9 -18.23 64.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -110.97 -158.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 1.3 mtmt -91.99 27.32 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mp0 -150.0 89.18 4.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 16.0 Cg_exo -68.2 115.58 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.326 3.351 . . . . 0.0 109.599 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.0 t -131.72 114.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -88.52 146.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.76 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -141.92 116.55 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.14 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -66.92 -32.86 74.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.761 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -56.08 -38.67 70.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -80.9 -1.32 42.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 70.5 m80 -149.52 50.59 0.94 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.766 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -16.31 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -91.21 32.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 t -138.78 138.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 136.46 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -58.49 -24.99 61.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.2 -4.62 68.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.51 -32.78 28.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.2 m -108.29 -49.13 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -90.42 77.23 6.58 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.765 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.8 p80 -68.94 158.94 84.91 Favored Pre-proline 0 CA--C 1.539 0.555 0 O-C-N 124.199 0.937 . . . . 0.0 109.763 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.9 Cg_exo -64.01 129.95 26.01 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.273 3.316 . . . . 0.0 109.64 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.008 HG11 HBC2 ' A' ' 109' ' ' HEC . 4.4 t -132.4 111.46 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.55 40.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.89 44.68 71.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -171.28 103.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' LYS . 38.5 mt-10 -33.34 127.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.59 147.23 40.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.95 20.72 3.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.821 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.42 168.13 16.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' O ' HMC3 ' A' ' 109' ' ' HEC . 10.9 mttt -39.58 126.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.27 -43.03 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.261 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -83.74 -94.32 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.56 150.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 122.8 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.82 -6.74 13.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 m -138.73 -140.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.992 ' CE1' HG11 ' A' ' 68' ' ' VAL . 58.0 m-70 -60.24 81.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -113.49 26.39 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -103.61 121.03 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.4 mtt -132.97 58.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -126.31 171.43 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 35.0 tttm -110.23 79.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 3.4 mmtm 163.82 -77.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t0 -39.78 119.78 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -97.01 -141.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER 86.83 173.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -71.25 -15.09 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.02 -33.69 76.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.75 123.3 6.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.615 ' CE2' ' O1D' ' A' ' 111' ' ' HEC . 2.4 t80 -71.82 -49.39 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.017 -0.591 . . . . 0.0 109.79 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.545 ' C ' ' CD1' ' A' ' 66' ' ' TYR . 2.1 p90 -78.76 -8.9 59.19 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.821 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.444 ' O ' HG21 ' A' ' 74' ' ' THR . 14.0 t60 -89.04 -8.82 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.992 HG11 ' CE1' ' A' ' 52' ' ' HIS . 29.3 m -111.2 21.41 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.12 28.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 79.3 m80 -147.71 -74.57 0.19 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.795 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HB3' HG23 ' A' ' 74' ' ' THR . 42.5 t0 -54.42 158.6 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -112.83 -34.32 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -47.61 -26.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 67' ' ' HIS . 22.1 p -44.12 165.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -39.7 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -110.15 169.3 8.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.53 158.42 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.523 ' O ' HMC3 ' A' ' 110' ' ' HEC . 64.2 p -118.95 -174.03 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.2 m -79.28 -41.45 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.054 ' O ' HG23 ' A' ' 84' ' ' VAL . 65.2 t -79.32 -36.15 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -50.57 -70.24 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.7 t -44.87 -49.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' ALA . 12.4 m170 -57.6 -33.95 68.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.803 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 80' ' ' VAL . 88.0 t -70.84 -33.52 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.88 -3.73 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.1 t -113.36 -58.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.033 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -70.13 61.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.83 21.08 4.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.57 -27.87 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 93' ' ' LYS . 10.6 t70 -123.88 162.12 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -86.48 -69.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -44.29 -47.24 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -53.56 -35.05 60.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.5 -1.47 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -117.57 3.67 12.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.73 -28.02 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.033 HD12 ' HB2' ' A' ' 87' ' ' ALA . 25.1 mt -96.64 -44.37 7.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.1 p -107.4 2.83 24.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.19 154.04 53.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.711 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 84.6 m -91.47 -47.6 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 144.61 35.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.31 7.55 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.3 t -80.06 150.77 30.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.962 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.7 OUTLIER -54.76 -43.92 73.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 m -67.24 -59.71 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.588 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 98.8 m-70 -101.5 62.04 0.93 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.776 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.006 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.008 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.991 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.939 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 122.097 0.951 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.872 ' HG2' HMB3 ' A' ' 108' ' ' HEC . 34.9 Cg_endo -83.62 149.88 12.9 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.363 3.375 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.676 ' O ' HMB2 ' A' ' 108' ' ' HEC . 3.9 mtmm -81.75 165.42 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -113.31 87.63 11.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 88.1 Cg_exo -41.0 163.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.327 3.352 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.2 146.38 29.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.91 167.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.52 18.18 5.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.664 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -108.39 126.38 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.95 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.9 140.96 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.529 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.6 mtp -103.22 120.66 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -148.55 58.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.76 -35.57 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.585 HG23 ' O2D' ' A' ' 111' ' ' HEC . 2.7 p -93.02 -156.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.42 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 1.2 mtpt -91.13 28.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -153.56 103.52 2.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 87.3 Cg_endo -81.07 131.1 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.309 3.339 . . . . 0.0 109.609 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 105' ' ' CYS . 71.4 t -136.07 118.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -81.97 150.39 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -152.44 117.5 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -103.0 131.27 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -60.61 -29.5 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.754 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 p -57.2 -44.0 83.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.5 p -75.94 -4.04 38.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -143.11 47.68 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.784 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -104.58 2.1 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 29.79 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.078 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -135.05 140.63 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 127.81 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.6 -24.66 22.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.76 -3.74 68.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -82.07 -34.89 29.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -105.85 -44.24 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -94.93 78.09 3.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.787 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.2 p80 -69.59 154.82 94.47 Favored Pre-proline 0 CA--C 1.539 0.539 0 O-C-N 124.146 0.903 . . . . 0.0 109.777 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.91 121.68 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 0.0 109.633 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.587 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -115.22 148.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 41.19 29.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.64 60.8 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.58 104.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.6 mt-10 -33.16 123.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' OD1' HMC2 ' A' ' 109' ' ' HEC . 9.8 t70 -107.6 134.63 50.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 2' ' ' PRO . 10.7 m-85 -131.39 19.38 4.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.845 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' LYS . 46.5 mtm180 -92.8 172.51 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.617 ' O ' HMC3 ' A' ' 109' ' ' HEC . 1.0 OUTLIER -37.17 136.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.08 -45.93 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.31 -84.47 0.31 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.02 168.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.395 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.58 122.57 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.88 -22.98 11.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -110.76 -138.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.978 ' CE1' HG11 ' A' ' 68' ' ' VAL . 65.3 m-70 -62.26 81.32 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.757 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -112.06 27.29 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -112.47 117.65 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.433 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.0 mtt -125.15 55.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -111.18 172.14 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -110.35 80.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 1.7 mttt 171.44 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t0 -40.21 131.26 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.6 mtpp -125.35 22.72 7.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -72.66 -179.4 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -69.41 -8.41 46.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -11.79 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.81 115.38 5.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.589 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.9 t80 -63.57 -54.88 29.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.846 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.81 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.1 t80 -73.17 -1.82 19.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.846 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 19.0 t60 -97.49 -12.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.978 HG11 ' CE1' ' A' ' 52' ' ' HIS . 20.2 m -107.93 18.87 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.589 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.15 27.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.81 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 78.8 m80 -153.18 -80.41 0.1 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.717 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.94 154.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -5.48 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -90.23 41.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.425 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 19.6 p -114.89 165.98 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.96 91.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' O ' HMA2 ' A' ' 109' ' ' HEC . 17.7 m-30 -118.28 153.17 34.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -61.71 159.36 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -115.54 -95.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 86.3 m -153.13 -47.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.259 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.032 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.9 t -72.82 -32.7 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.34 -70.23 1.02 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.7 t -44.4 -48.15 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.82 -35.89 71.5 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.772 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.9 t -71.85 -33.01 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 2.0 tt0 -82.87 -8.15 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 82' ' ' CYS . 67.0 t -108.99 -57.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.935 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -75.37 57.47 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.21 24.92 4.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.11 -32.09 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -127.34 147.96 50.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.22 25.94 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.29 -63.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.545 ' HZ3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -58.96 -25.84 63.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.73 -18.05 7.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.41 18.72 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -134.8 -43.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 87' ' ' ALA . 16.0 mt -78.69 -47.08 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 55.1 p -104.76 -1.27 26.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.97 2.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.868 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 18.8 m -103.12 -40.45 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.3 pttt -123.06 131.4 53.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER 87.42 -6.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' GLU . 13.7 t -66.54 151.34 47.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.977 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.2 OUTLIER -52.41 -42.31 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.484 ' HA ' HG13 ' A' ' 18' ' ' VAL . 64.7 m -66.63 -54.64 21.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -107.92 65.52 0.64 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.771 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.043 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.617 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.989 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.935 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 122.005 0.907 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 1.017 ' HG2' HMB3 ' A' ' 108' ' ' HEC . 43.4 Cg_endo -61.07 -176.11 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.283 3.322 . . . . 0.0 109.627 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -118.26 122.54 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -40.49 102.45 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.707 ' HG2' ' C3A' ' A' ' 108' ' ' HEC . 25.7 Cg_exo -45.16 166.92 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.253 3.302 . . . . 0.0 109.603 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.79 128.5 33.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.68 165.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.96 24.22 4.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 129.75 55.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.862 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.11 132.64 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.441 ' CE ' ' O1D' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -95.56 116.9 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.6 pt-20 -147.14 56.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.25 30.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.562 HG23 ' O1D' ' A' ' 111' ' ' HEC . 2.6 p -90.93 -158.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 7.2 mttp -90.61 30.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.61 102.96 2.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 85.8 Cg_endo -81.08 130.14 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.349 3.366 . . . . 0.0 109.576 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 105' ' ' CYS . 65.8 t -136.34 109.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.862 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -69.83 148.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.884 ' CE2' HBB2 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -155.76 113.05 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -105.9 134.7 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -60.81 -17.82 51.78 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -69.3 -39.2 78.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 70.4 p -74.66 -4.73 39.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -146.69 49.7 1.14 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.617 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -99.46 103.9 15.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.66 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 32' ' ' ASP . 38.0 t -56.0 133.05 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 128.66 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.26 -24.5 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.36 -4.12 59.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' HG12 ' A' ' 28' ' ' VAL . 11.0 t70 -80.53 -31.46 37.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -111.82 -52.84 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.246 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -84.57 76.16 10.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 8.4 p80 -73.77 158.66 85.81 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 124.185 0.928 . . . . 0.0 109.745 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 19.8 Cg_exo -64.95 134.46 40.08 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.309 3.34 . . . . 0.0 109.59 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.044 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.3 t -133.37 -75.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.02 65.45 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.11 29.54 0.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.86 134.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.7 mt-10 -36.91 117.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -97.8 147.54 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.844 ' CE2' ' HG3' ' A' ' 2' ' ' PRO . 9.7 m-85 -129.02 21.68 5.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.862 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -85.03 163.42 18.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.597 ' O ' HMC3 ' A' ' 109' ' ' HEC . 9.5 mttm -39.81 133.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' SG ' ' O1D' ' A' ' 108' ' ' HEC . 23.8 m -48.2 -44.73 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.54 -93.81 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER 55.05 150.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 110.436 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.71 120.57 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -6.9 10.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -138.44 -139.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.972 ' CE1' HG11 ' A' ' 68' ' ' VAL . 62.8 m-70 -60.9 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.737 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 p-10 -109.72 25.1 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 t -103.67 122.23 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mtt -132.32 58.89 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -121.95 -167.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.5 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -130.11 90.79 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 mttt 170.88 -83.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.01 126.92 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 4.7 pttm -122.11 33.32 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.535 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 33.8 t -67.0 -167.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -70.63 -7.39 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -90.88 -12.92 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.03 121.8 14.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.6 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.2 t80 -70.92 -48.7 52.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.969 -0.616 . . . . 0.0 109.868 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.2 t80 -80.9 -0.66 40.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.902 -0.57 . . . . 0.0 109.862 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 13.8 t60 -99.22 -8.39 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.555 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.972 HG11 ' CE1' ' A' ' 52' ' ' HIS . 26.2 m -111.17 17.67 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.6 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.69 25.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.8 m80 -149.44 -61.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.731 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.719 ' HB3' HG23 ' A' ' 74' ' ' THR . 5.7 m-20 -51.59 177.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' THR . 10.3 pttm -136.58 -46.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 74' ' ' THR . 1.7 m-20 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.719 HG23 ' HB3' ' A' ' 71' ' ' ASP . 22.2 p -41.69 164.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -40.54 91.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.46 163.5 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -68.9 157.98 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.5 ' O ' HMC3 ' A' ' 110' ' ' HEC . 5.0 p -119.85 -170.71 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 85.4 m -79.28 -46.38 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.349 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.035 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.4 t -74.89 -33.05 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.55 -72.34 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.488 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.0 t -43.78 -50.49 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.1 -36.23 67.94 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.753 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.035 HG23 ' O ' ' A' ' 80' ' ' VAL . 61.3 t -70.98 -33.25 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.59 -19.99 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.721 HG11 ' O1D' ' A' ' 110' ' ' HEC . 78.5 t -92.13 -55.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.826 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -79.72 165.48 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.75 -35.41 2.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.96 -24.26 65.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -120.97 148.07 44.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 25.73 2.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.6 -70.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -26.48 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -68.08 -7.4 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -119.72 -0.48 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.53 -29.01 6.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.826 HD12 ' HB2' ' A' ' 87' ' ' ALA . 20.2 mt -92.09 -44.36 8.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 70.9 p -106.77 0.64 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.73 156.62 31.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.772 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 69.3 m -98.17 -46.01 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 142.8 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.66 5.59 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.7 t -78.97 151.53 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 1.013 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.1 OUTLIER -53.62 -42.38 67.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.469 ' HA ' HG13 ' A' ' 18' ' ' VAL . 41.3 m -68.09 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -100.12 61.85 1.1 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.761 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.017 HMB3 ' HG2' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.044 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.013 HMA3 ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.828 HBC3 HMC1 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 122.057 0.932 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' LYS . 37.0 Cg_endo -88.12 113.68 0.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.313 3.342 . . . . 0.0 109.605 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.953 ' O ' HMB2 ' A' ' 108' ' ' HEC . 9.9 mmtt -61.87 -124.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -120.41 75.2 24.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 80.6 Cg_exo -40.53 162.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.261 3.307 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -84.66 179.14 7.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -44.17 167.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.32 -8.72 3.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.729 HD21 ' HD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -99.25 129.11 45.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 121.39 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.477 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.4 OUTLIER -94.63 86.19 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 2.0 pt-20 -122.92 42.15 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.02 -23.74 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.575 HG23 ' O1D' ' A' ' 111' ' ' HEC . 2.7 p -104.39 -159.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 9.8 mtmm -92.84 30.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.3 OUTLIER -155.55 91.6 2.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 23.4 Cg_exo -64.5 127.37 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 0.0 109.624 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 16' ' ' GLN . 43.8 t -138.69 99.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -77.91 155.59 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.729 ' HD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -148.16 119.51 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -88.85 144.72 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -79.84 -28.69 40.04 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.782 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -68.47 -18.63 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -99.92 5.15 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 80.6 m80 -150.47 50.76 0.88 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.763 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -101.0 -21.17 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 37.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.6 t -135.1 144.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -47.78 119.83 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.6 t -54.88 -20.25 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.71 12.85 62.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.68 -38.19 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.535 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -96.19 -46.98 6.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -94.79 77.32 3.67 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.739 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.678 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.6 p80 -71.22 159.79 84.47 Favored Pre-proline 0 CA--C 1.539 0.557 0 O-C-N 124.124 0.89 . . . . 0.0 109.727 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.6 Cg_exo -64.17 130.63 27.75 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.341 3.36 . . . . 0.0 109.63 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.093 HG11 HBC2 ' A' ' 109' ' ' HEC . 10.2 t -136.91 125.31 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.253 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.29 35.46 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.63 18.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 tttm 171.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 40' ' ' LYS . 14.1 mt-10 -29.25 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.2 145.8 39.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -132.86 23.87 4.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.791 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 mtm180 -91.51 169.1 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.708 ' HD3' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -37.64 141.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.6 m -61.06 -44.78 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -75.25 -85.89 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.708 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.57 167.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.433 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.98 121.47 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.77 -14.66 14.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 4.0 m -120.16 -139.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.951 ' CE1' HG11 ' A' ' 68' ' ' VAL . 64.9 m-70 -61.18 87.4 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.755 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -113.47 20.1 16.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -96.06 117.82 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.01 59.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -125.92 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -125.27 92.29 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 3.9 mttm 164.28 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.31 127.24 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 8.3 mttm -118.18 15.37 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.5 t -57.3 174.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.02 -31.54 51.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -32.25 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.37 116.51 3.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.5 t80 -69.28 -46.89 66.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.838 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.795 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -79.21 -2.98 43.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.777 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 60' ' ' LYS . 13.6 t60 -97.05 -10.05 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.951 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -107.39 15.24 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.557 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.18 26.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.795 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.5 m80 -150.32 -80.99 0.11 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.763 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -43.14 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -122.03 -1.02 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -92.13 43.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.406 HG22 ' CE1' ' A' ' 67' ' ' HIS . 23.5 p -119.37 164.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.1 92.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.613 ' O ' HMA2 ' A' ' 109' ' ' HEC . 62.9 m-85 -112.51 144.7 41.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.8 157.27 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -111.1 -114.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 73.9 m -138.04 -48.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.051 ' O ' HG23 ' A' ' 84' ' ' VAL . 54.8 t -73.33 -31.51 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.69 -70.31 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.661 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.9 t -43.9 -48.41 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.59 -37.28 70.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.8 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 80' ' ' VAL . 86.7 t -69.47 -31.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.75 -10.57 55.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.75 HG11 ' O1D' ' A' ' 110' ' ' HEC . 65.3 t -96.77 -49.87 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -37.5 -45.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.18 -87.93 0.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.46 19.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.563 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 30.2 t0 -84.44 73.57 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.87 -22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.563 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -73.76 -49.71 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.775 ' HD2' HD11 ' A' ' 97' ' ' LEU . 6.5 ttmm -76.14 -21.19 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -60.95 -14.5 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 13.49 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.38 -42.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.775 HD11 ' HD2' ' A' ' 93' ' ' LYS . 8.6 mt -81.55 -51.63 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.7 p -101.57 -4.67 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.01 150.56 9.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.829 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 62.0 m -94.73 -44.54 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.6 tptp -115.48 131.92 56.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.1 tttt 87.8 -7.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 29.4 t -67.06 154.79 40.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.948 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.4 mptp? -59.56 -39.96 85.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.5 m -68.05 -55.46 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -109.82 65.73 0.62 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.728 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.041 HBB3 HMB1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.093 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.991 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.929 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.664 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.088 0.947 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.708 ' HG2' HMB3 ' A' ' 108' ' ' HEC . 33.1 Cg_endo -86.8 -161.7 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 4' ' ' ALA . 1.2 mtmm -124.96 102.63 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -36.4 98.32 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 3' ' ' LYS . 35.3 Cg_exo -58.39 160.95 15.22 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.334 . . . . 0.0 109.636 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -73.56 143.83 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.95 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.04 43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD13 HAD2 ' A' ' 108' ' ' HEC . 0.3 OUTLIER -129.89 132.82 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.61 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.98 133.69 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.508 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 6.1 mtp -105.88 95.91 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -128.83 46.97 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -17.88 60.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' O2D' ' A' ' 111' ' ' HEC . 3.2 p -112.22 -155.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 3.2 mttp -91.24 24.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -149.52 103.05 3.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 90.6 Cg_endo -83.35 110.16 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.261 3.307 . . . . 0.0 109.571 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 105' ' ' CYS . 78.8 t -122.13 116.03 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.61 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.37 144.25 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.722 ' HD1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -139.65 115.12 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -91.71 143.05 26.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -74.32 -26.91 60.45 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.764 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -69.58 -17.24 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 17.4 p -101.37 7.13 42.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -151.48 43.74 0.76 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.723 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.2 ptpp? -89.19 162.75 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.4 p 85.51 -47.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -51.1 132.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -53.55 122.82 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -52.93 -22.29 5.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.08 -5.29 70.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -80.0 -34.84 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.712 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -107.09 -43.44 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.07 73.57 2.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.61 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.0 p80 -69.07 158.36 86.74 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.147 0.904 . . . . 0.0 109.784 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 16.8 Cg_exo -66.5 128.44 19.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.32 . . . . 0.0 109.591 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.099 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.0 t -128.83 111.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.2 52.14 53.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.1 tttp -178.21 104.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 40' ' ' LYS . 15.5 mt-10 -32.67 127.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' OD1' HMC2 ' A' ' 109' ' ' HEC . 13.7 t70 -111.54 133.89 53.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.15 17.27 7.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.96 172.66 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -40.93 123.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 m -42.68 -43.08 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.28 -93.76 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.507 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.76 151.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 123.58 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -8.87 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -136.15 -139.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.016 ' CE1' HG11 ' A' ' 68' ' ' VAL . 63.7 m-70 -59.75 81.62 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 52.4 t0 -115.45 27.97 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -106.12 118.08 35.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -131.52 58.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -122.35 -167.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.58 90.89 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER 167.96 -67.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 129.06 38.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -121.74 29.24 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.79 173.68 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.61 -29.39 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -63.83 -19.92 65.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.56 118.8 16.08 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.0 t80 -68.46 -49.09 62.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.951 -0.625 . . . . 0.0 109.794 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.814 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -78.47 -2.82 40.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.795 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' A' ' 74' ' ' THR . 13.6 t60 -96.98 -11.21 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.016 HG11 ' CE1' ' A' ' 52' ' ' HIS . 22.1 m -107.39 16.77 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.587 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.83 30.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.814 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 72.3 m80 -152.68 -74.4 0.14 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.39 151.56 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.4 -13.9 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -14.23 62.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.467 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 24.2 p -54.76 165.59 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 76' ' ' PHE . 25.9 tttp -64.87 -38.86 92.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.9 m-30 -107.99 162.83 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 157.7 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.506 ' O ' HMC3 ' A' ' 110' ' ' HEC . 82.6 p -121.72 -176.23 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.37 -46.1 28.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.046 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.2 t -77.52 -33.85 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.1 -70.58 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.902 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.2 t -44.22 -49.49 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -56.2 -35.02 66.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 80' ' ' VAL . 86.3 t -74.45 -33.4 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.99 -16.26 50.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 82' ' ' CYS . 74.9 t -78.5 -56.47 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 86' ' ' VAL . . . -45.75 169.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.51 -53.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.1 22.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.77 81.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -49.01 -52.93 22.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -44.52 -47.01 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -32.24 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.5 -4.88 36.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -120.15 0.23 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ALA . 42.6 m-20 -117.95 -26.24 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.604 ' O ' HMC1 ' A' ' 111' ' ' HEC . 35.7 mt -96.83 -43.69 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 46.2 p -107.21 2.44 24.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.39 155.97 27.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.819 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 25.7 m -97.47 -41.37 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -125.79 135.93 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 87.68 -8.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 40.8 t -71.55 159.64 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.957 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.6 OUTLIER -58.73 -40.63 84.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.464 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.5 m -67.76 -61.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 87.5 m-70 -107.58 66.05 0.66 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.781 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.982 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.099 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.957 HMA3 ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.826 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 122.036 0.922 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 19.4 Cg_endo -56.16 147.17 66.95 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.306 3.337 . . . . 0.0 109.606 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.9 mmtt -136.72 50.28 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . 38.85 88.75 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 68.3 Cg_exo -40.29 162.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.34 3.36 . . . . 0.0 109.576 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -55.68 141.4 38.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.37 150.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 42.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -124.46 122.32 37.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.832 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -129.16 148.23 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.484 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 1.2 mtm -117.59 112.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 1.6 pt-20 -143.41 53.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -19.48 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.56 HG23 ' CGD' ' A' ' 111' ' ' HEC . 4.0 p -106.3 -158.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.9 mtpp -90.64 23.43 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -151.09 103.68 2.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 86.1 Cg_endo -80.67 126.96 6.17 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.284 3.323 . . . . 0.0 109.559 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.31 113.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.832 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.38 145.09 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -144.02 116.0 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.7 m-20 -92.23 133.2 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -65.63 -28.31 69.02 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.752 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.0 p -64.96 -39.72 93.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 18.4 p -77.19 -2.4 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.503 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 76.7 m80 -144.29 46.98 1.41 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.773 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.07 -13.58 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -91.72 26.3 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -134.22 140.21 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.55 136.49 58.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -57.86 -25.84 61.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 108.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.1 -2.56 58.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -84.61 -36.74 21.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.533 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -103.63 -47.66 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -91.77 77.28 5.57 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.781 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.749 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.5 p80 -68.2 155.26 92.64 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.117 0.885 . . . . 0.0 109.78 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 118.72 5.42 Favored 'Trans proline' 0 N--CA 1.446 -1.301 0 C-N-CA 124.361 3.374 . . . . 0.0 109.593 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.749 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -115.25 147.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 44.1 27.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.36 57.79 10.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' GLU . 18.9 ttmt 179.46 103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.2 mt-10 -35.37 123.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -114.71 137.01 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.87 9.1 9.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.44 165.31 24.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' HMC3 ' A' ' 109' ' ' HEC . 1.6 mttp -41.76 135.96 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.49 -29.27 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -116.65 48.72 0.91 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.22 147.89 22.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.7 125.67 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 51' ' ' CYS . . . 101.74 15.47 26.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 50' ' ' GLY . 31.4 m -150.91 -131.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.998 ' CE1' HG11 ' A' ' 68' ' ' VAL . 81.9 m-70 -71.95 88.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.788 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -105.05 -12.1 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 65' ' ' TYR . 2.1 t -63.9 120.97 12.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.4 mtt -142.46 63.25 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -138.26 -166.97 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 64.1 tttt -115.26 84.88 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.8 mmtp 163.81 -75.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 -40.13 113.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.6 mtpt -111.47 -10.46 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.7 m -43.7 166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' CB ' ' O2A' ' A' ' 109' ' ' HEC . . . -51.58 -23.14 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -30.5 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.4 118.35 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CE2' ' O1D' ' A' ' 111' ' ' HEC . 3.8 t80 -75.69 -36.55 60.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.01 -0.595 . . . . 0.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.649 ' O ' ' CD1' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -91.74 -3.55 56.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.865 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 15.3 t60 -95.63 -11.71 26.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.998 HG11 ' CE1' ' A' ' 52' ' ' HIS . 31.2 m -104.26 14.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.538 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.73 34.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.4 m80 -158.33 -66.29 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.806 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 74' ' ' THR . 7.3 m-20 -53.35 151.36 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 -27.62 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -23.7 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 71' ' ' ASP . 24.5 p -41.75 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.77 91.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE2' ' O2D' ' A' ' 109' ' ' HEC . 23.3 m-85 -111.34 170.2 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -69.31 157.71 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.527 ' O ' HMC3 ' A' ' 110' ' ' HEC . 69.6 p -118.75 -175.22 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 70.9 m -79.91 -42.4 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 91.9 t -80.88 -32.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.5 -70.51 0.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.994 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.3 t -44.36 -48.72 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.02 -36.74 70.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.784 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 87.1 t -74.94 -33.48 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -82.3 -18.01 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 82' ' ' CYS . 53.3 t -73.39 -54.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.61 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.78 -53.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.73 32.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.554 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 8.9 t0 -114.57 110.77 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.88 16.49 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.554 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -117.6 -49.05 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -26.92 67.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.3 pptp? -83.98 1.51 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -119.6 6.49 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -130.47 -43.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.603 ' O ' HMC1 ' A' ' 111' ' ' HEC . 29.3 mt -74.97 -36.96 62.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 68.7 p -108.52 -0.76 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.33 152.61 20.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.759 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 58.9 m -96.48 -46.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 150.25 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt 50.52 22.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -78.08 164.32 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -62.44 -21.59 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 m -99.1 -58.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.21 58.04 2.44 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.987 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.594 HBB3 HMB1 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.977 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.787 HBC3 HMC1 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.081 0.943 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 43.3 Cg_exo -55.37 110.55 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.32 3.346 . . . . 0.0 109.618 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.819 ' O ' HMB2 ' A' ' 108' ' ' HEC . 1.8 mttt -72.33 173.55 8.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.78 86.9 11.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 67.2 Cg_exo -40.3 161.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.306 3.337 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.55 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.04 170.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.12 17.01 6.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.716 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -105.54 125.21 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.953 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.64 140.2 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.407 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 1.8 mtp -104.68 118.73 37.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -146.59 58.39 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.09 -16.46 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' O2D' ' A' ' 111' ' ' HEC . 3.7 p -112.62 -159.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 20.1 mtpt -91.92 23.04 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.501 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -146.6 88.91 5.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.41 130.36 22.23 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.612 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.07 119.7 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.953 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -86.96 152.96 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -155.54 118.22 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -104.96 131.3 52.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' HIS . 47.8 m80 -58.85 -28.92 66.53 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.744 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 p -55.86 -43.07 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 80.7 p -75.8 -4.33 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 60.6 m80 -142.68 44.51 1.61 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.715 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -99.43 101.71 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 t 148.34 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.88 135.83 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -48.99 122.16 5.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.465 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.4 m -53.68 -23.35 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.89 -3.95 69.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -82.34 -32.47 29.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -108.67 -44.02 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -95.32 82.48 3.72 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.701 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.4 p80 -79.74 154.75 75.9 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 124.21 0.944 . . . . 0.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.42 130.08 14.59 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.375 3.383 . . . . 0.0 109.543 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.9 t -127.57 -77.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -74.16 62.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.24 30.37 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -172.22 131.89 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.9 mt-10 -36.37 120.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.48 130.02 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 6.5 m-85 -126.09 20.47 7.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.2 mtm180 -97.15 175.21 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' O ' HMC3 ' A' ' 109' ' ' HEC . 18.6 mttp -37.77 137.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.452 ' SG ' ' CGD' ' A' ' 108' ' ' HEC . 55.7 m -62.8 -47.35 83.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -71.76 -83.37 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.16 167.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.416 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.69 120.83 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.46 -23.32 9.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -110.88 -139.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.945 ' CE1' HG11 ' A' ' 68' ' ' VAL . 64.3 m-70 -60.99 76.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.6 p-10 -106.1 25.14 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -111.96 122.22 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.419 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.3 mtt -127.43 57.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -116.27 -171.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.12 93.81 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER 164.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 124.76 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.63 33.13 4.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -82.02 177.34 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.515 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.67 -5.3 39.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.86 -12.84 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.66 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.8 t80 -64.54 -53.0 54.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.965 -0.617 . . . . 0.0 109.839 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.804 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.5 t80 -75.09 0.09 17.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.904 -0.57 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 13.4 t60 -99.11 -9.3 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.64 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.945 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.1 m -111.74 16.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.617 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.3 23.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.804 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -151.16 -55.63 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.775 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 74' ' ' THR . 2.4 m-20 -52.58 -176.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -147.12 -47.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -49.66 -23.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 71' ' ' ASP . 22.8 p -42.05 164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.56 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -109.77 155.56 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.28 156.83 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.501 ' O ' HMC3 ' A' ' 110' ' ' HEC . 9.2 t -121.16 -172.96 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.53 -59.92 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 44.9 t -61.42 -35.87 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.08 -72.57 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.591 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.4 t -44.08 -50.63 8.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.8 -35.82 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.8 t -71.02 -33.27 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.4 -8.84 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 82' ' ' CYS . 99.6 t -107.21 -57.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.987 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -74.19 58.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.38 24.61 3.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.77 -29.9 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -129.15 154.59 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.89 29.76 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.32 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -27.3 65.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.47 -18.2 6.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.14 21.23 17.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -137.94 -43.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.987 HD12 ' HB2' ' A' ' 87' ' ' ALA . 19.4 mt -78.36 -43.77 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 64.6 p -107.84 2.85 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.46 163.04 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.867 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 14.1 m -109.32 -38.84 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -127.79 130.86 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 3.2 ttmt 87.89 -8.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 t -64.86 155.21 34.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.957 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.5 mptp? -53.71 -41.81 67.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.03 -57.83 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 108.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.73 64.96 0.81 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.761 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.041 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.565 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.994 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.867 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.465 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.096 0.95 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.653 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 4.5 Cg_exo -81.6 162.98 19.1 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.299 3.333 . . . . 0.0 109.538 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.799 ' O ' HMB2 ' A' ' 108' ' ' HEC . 0.9 OUTLIER -88.56 -176.0 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.98 76.9 11.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 3' ' ' LYS . 86.4 Cg_exo -41.44 163.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.292 3.328 . . . . 0.0 109.602 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.73 169.27 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -44.95 168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.87 8.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.59 1.181 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.74 121.58 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.829 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.31 144.27 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.641 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.6 mtp -108.97 105.3 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 1.1 mt-10 -132.73 50.53 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.18 42.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.571 HG23 ' O1D' ' A' ' 111' ' ' HEC . 3.1 p -106.51 -160.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 10.2 mttp -92.33 24.16 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.55 87.76 5.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 23.3 Cg_exo -65.84 131.0 26.03 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.334 3.356 . . . . 0.0 109.617 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.0 t -139.2 115.03 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.829 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.5 152.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.607 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -97.21 134.1 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -64.93 -31.26 72.41 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.785 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -60.12 -40.46 89.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -78.63 -0.88 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -145.98 49.7 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.78 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -103.65 -15.02 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -98.14 36.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -131.62 145.91 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 120.22 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -54.69 -20.65 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 14.79 61.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.87 -33.46 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -102.31 -52.11 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -88.66 73.65 8.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.768 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.684 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.9 p80 -68.93 159.61 81.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.163 0.914 . . . . 0.0 109.787 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 22.7 Cg_exo -63.56 129.84 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.305 3.337 . . . . 0.0 109.608 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.091 HG11 HBC2 ' A' ' 109' ' ' HEC . 10.6 t -136.35 120.5 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.49 35.52 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 40' ' ' LYS . . . 56.63 58.85 12.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 41' ' ' GLU . 13.0 tttm 170.51 104.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.787 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.9 mt-10 -30.6 126.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.3 142.75 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.653 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 9.5 m-85 -128.11 19.73 6.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.881 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 42.0 mtm180 -88.5 165.77 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.613 ' O ' HMC3 ' A' ' 109' ' ' HEC . 13.3 mttt -37.42 142.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.2 m -59.94 -41.92 92.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 51' ' ' CYS . . . -77.85 -87.6 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.76 167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.08 125.04 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.43 -15.45 22.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 3.9 m -120.48 -140.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.944 ' CE1' HG11 ' A' ' 68' ' ' VAL . 61.2 m-70 -61.05 82.52 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.713 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -112.06 27.28 9.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -110.87 116.21 30.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.452 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.0 mtt -124.74 55.73 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.26 -169.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.909 ' NZ ' HMA2 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -133.64 93.78 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 170.45 -58.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.83 119.95 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.583 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 10.8 pttt -107.79 23.33 14.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -59.97 -178.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -68.1 -9.93 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -19.82 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.03 117.85 13.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.591 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.7 t80 -67.08 -50.64 61.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.031 -0.584 . . . . 0.0 109.851 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.4 t80 -76.58 -1.15 26.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 12.4 t60 -98.29 -10.24 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.944 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.2 m -109.29 15.57 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.591 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.05 26.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.3 m80 -153.76 -76.22 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.736 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.47 152.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.08 -5.59 10.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.21 43.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.548 HG22 ' CE1' ' A' ' 67' ' ' HIS . 22.0 p -117.45 165.24 13.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.05 92.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 67.5 m-85 -112.99 155.48 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.31 158.88 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.434 ' HB3' ' CA ' ' A' ' 69' ' ' MET . 35.1 m -113.46 -124.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 99.2 m -127.26 -46.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.062 ' O ' HG23 ' A' ' 84' ' ' VAL . 69.2 t -77.75 -32.02 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.8 -70.98 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 t -43.61 -49.83 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.59 -36.5 66.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.712 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.062 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.8 t -70.13 -33.92 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.62 -8.0 59.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.8 t -108.15 -58.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -73.97 58.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.84 25.05 4.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.92 -31.78 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.07 149.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.99 27.79 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.34 -60.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.589 ' HZ3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.62 -24.28 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.78 -17.69 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -105.66 19.05 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -135.36 -43.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.05 HD12 ' HB2' ' A' ' 87' ' ' ALA . 14.5 mt -78.27 -43.98 26.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 57.5 p -108.71 3.02 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 157.99 9.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.893 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 21.1 m -104.04 -40.5 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.3 tptp -121.37 130.25 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.6 ttmt 87.49 -8.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 107' ' ' GLU . 27.1 t -63.09 153.25 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.953 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -55.67 -40.36 72.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -70.55 -50.12 40.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.93 68.69 0.68 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.723 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.021 HBB3 HMB1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.091 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.98 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.909 HMA2 ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.908 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 122.02 0.914 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.908 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 68.5 Cg_exo -48.33 88.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.324 3.349 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 1' ' ' ALA . 20.0 mttt -106.46 44.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . 39.02 90.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.6 Cg_exo -40.14 162.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.322 3.348 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -52.97 144.68 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.75 148.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.01 42.63 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.522 HD11 HAD2 ' A' ' 108' ' ' HEC . 0.1 OUTLIER -126.9 123.35 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.879 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.82 144.14 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.45 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 2.0 mtp -113.42 112.53 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 14.2 pt-20 -142.38 54.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.3 40.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.433 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.1 p -93.82 -158.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 9.6 mttt -90.89 31.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -157.38 103.52 1.85 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.1 Cg_endo -80.93 128.24 6.49 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.276 3.317 . . . . 0.0 109.624 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.18 112.34 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.879 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.95 145.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -145.39 115.78 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.33 143.18 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CE1' ' CD2' ' A' ' 9' ' ' LEU . 19.5 m80 -74.79 -24.9 58.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.75 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.0 p -69.56 -21.01 63.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 p -96.12 -0.55 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.467 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 77.1 m80 -147.06 48.19 1.14 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.752 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -12.11 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 m -90.08 20.85 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 32' ' ' ASP . 53.3 t -131.76 141.75 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.35 139.34 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -58.82 -26.41 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.42 -3.49 58.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' HB3' HG12 ' A' ' 28' ' ' VAL . 5.3 t0 -83.69 -32.36 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.652 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -109.75 -46.11 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -94.33 76.38 3.93 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.772 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CE1' HG22 ' A' ' 37' ' ' VAL . 7.2 p80 -72.18 158.68 87.15 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.192 0.933 . . . . 0.0 109.751 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.22 128.21 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.283 3.322 . . . . 0.0 109.638 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.048 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.2 t -128.94 114.5 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.72 35.53 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.15 31.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 41' ' ' GLU . 17.0 tttt 178.29 103.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 40' ' ' LYS . 7.7 mt-10 -31.5 126.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.61 133.81 52.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.16 22.37 6.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.809 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -90.66 171.38 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . 3.1 mtpm? -40.29 122.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' SG ' ' CGD' ' A' ' 108' ' ' HEC . 35.4 m -42.63 -40.35 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.16 -93.4 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.521 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 55.44 150.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.46 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 119.63 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.3 -7.01 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 6.4 m -136.57 -138.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.995 ' CE1' HG11 ' A' ' 68' ' ' VAL . 71.4 m-70 -60.91 88.01 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.6 -15.78 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -61.98 122.71 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 mtt -142.08 62.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -131.9 -164.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -124.58 88.16 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 2.4 mmtp 165.84 -74.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.09 128.4 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.75 11.01 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.85 170.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.89 -30.03 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -29.0 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.9 116.36 3.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.79 -44.4 70.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.588 . . . . 0.0 109.827 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.808 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -82.74 -1.36 51.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.819 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' A' ' 74' ' ' THR . 12.8 t60 -97.67 -10.76 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.655 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.995 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.36 13.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -148.35 24.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.808 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.11 -79.91 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.775 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -41.11 151.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -9.82 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -87.34 47.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 67' ' ' HIS . 24.0 p -119.77 164.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -39.69 92.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' O ' HMA2 ' A' ' 109' ' ' HEC . 54.3 m-85 -114.01 154.14 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -63.12 157.82 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.8 m -113.74 -121.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.93 -46.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.06 ' O ' HG23 ' A' ' 84' ' ' VAL . 72.1 t -76.87 -29.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.16 -70.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 1.015 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.1 t -43.92 -49.19 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -55.73 -36.93 67.79 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.772 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.06 HG23 ' O ' ' A' ' 80' ' ' VAL . 83.1 t -72.85 -34.07 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.2 -7.93 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 82' ' ' CYS . 76.7 t -89.17 -57.39 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.79 166.43 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.94 -51.0 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.68 -29.52 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -78.43 83.9 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -54.72 -49.42 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -46.13 -48.16 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -28.71 69.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -77.3 -2.33 34.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -122.77 -1.7 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.457 ' C ' HD23 ' A' ' 97' ' ' LEU . 6.3 m-20 -117.17 -27.35 6.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' O ' HMC1 ' A' ' 111' ' ' HEC . 2.3 mt -93.43 -44.03 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 62.7 p -103.61 -4.8 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.66 149.84 18.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.765 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 66.2 m -93.21 -47.19 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 137.56 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 78.79 -0.83 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' GLU . 11.8 t -71.86 148.95 45.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 1.023 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -51.23 -40.61 59.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.02 -60.45 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 108.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -101.28 61.81 0.94 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.703 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.999 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.048 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.023 HMA3 ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.868 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.051 0.929 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -78.87 -161.86 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.303 3.335 . . . . 0.0 109.578 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.696 ' O ' HMB2 ' A' ' 108' ' ' HEC . 24.4 mttt -96.18 -60.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.51 141.24 9.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.536 ' HG3' ' CE1' ' A' ' 22' ' ' HIS . 48.4 Cg_endo -67.35 176.58 4.65 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.354 3.369 . . . . 0.0 109.579 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -101.35 118.3 36.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -38.5 156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.26 18.54 5.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.885 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -96.85 143.52 27.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.12 135.51 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.572 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 4.2 mtp -100.51 96.33 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.3 pt-20 -124.87 44.81 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.08 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.545 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.6 p -113.92 -157.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -92.93 32.43 1.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' ND1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -156.71 91.26 2.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 15.5 Cg_exo -68.05 107.58 1.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.288 3.325 . . . . 0.0 109.636 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 105' ' ' CYS . 47.6 t -112.28 126.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.28 150.47 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.885 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -154.47 117.03 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.96 134.2 48.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 5' ' ' PRO . 35.3 m80 -63.05 -19.55 64.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -67.75 -27.34 66.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -93.44 -2.97 53.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -146.24 48.92 1.19 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.774 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -105.96 3.7 28.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -113.17 30.3 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -136.16 139.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 130.71 38.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 m -55.96 -26.63 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.18 -4.52 56.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -82.68 -32.53 28.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.577 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -110.21 -45.76 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.239 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -94.55 76.09 3.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.76 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.601 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.8 p80 -70.55 159.28 85.53 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.174 0.921 . . . . 0.0 109.754 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.04 128.7 20.18 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.318 3.345 . . . . 0.0 109.649 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.086 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.3 t -130.12 114.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.93 39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.62 49.68 64.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.9 ttpt -176.63 103.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.774 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' LYS . 22.3 mt-10 -32.02 129.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -114.16 137.78 51.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 10.2 m-85 -129.45 20.73 5.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.796 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.8 mtt180 -87.73 171.11 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.0 mttm -39.63 123.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -42.93 -42.93 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.4 -93.5 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.508 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.88 150.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.12 120.7 15.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.36 -8.27 10.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.0 m -135.98 -138.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.036 ' CE1' HG11 ' A' ' 68' ' ' VAL . 68.4 m-70 -60.01 89.46 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.769 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -105.89 -17.09 14.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 65' ' ' TYR . 1.4 t -61.97 119.33 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.6 mtt -140.17 62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -139.17 177.96 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 19.2 tttt -107.52 83.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 19.1 mttt 163.14 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.11 122.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 61' ' ' SER . 16.7 mmtt -105.24 -141.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 85.44 164.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.97 -26.52 48.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -62.22 -28.97 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.95 116.19 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.8 t80 -67.64 -46.15 73.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.968 -0.616 . . . . 0.0 109.826 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.815 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -80.69 -2.14 45.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.808 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.561 ' CE1' HG22 ' A' ' 74' ' ' THR . 10.5 t60 -98.14 -8.8 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.036 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.7 m -108.59 14.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -149.94 30.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.815 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 71.6 m80 -151.39 -82.11 0.1 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.693 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -49.84 150.81 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -111.4 -23.32 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 67' ' ' HIS . 20.6 p -52.7 165.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -61.85 -39.48 92.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' O ' HMA2 ' A' ' 109' ' ' HEC . 22.5 m-85 -117.97 157.62 26.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -62.47 158.14 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -116.78 -95.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 110' ' ' HEC . 79.5 m -153.1 -47.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.075 ' O ' HG23 ' A' ' 84' ' ' VAL . 48.3 t -72.94 -34.22 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.95 -68.86 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.644 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.9 t -45.13 -47.44 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.36 -34.18 70.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.075 HG23 ' O ' ' A' ' 80' ' ' VAL . 95.6 t -70.8 -39.21 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.43 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -77.56 -8.18 57.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 82' ' ' CYS . 91.2 t -107.12 -57.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.96 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -78.07 56.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.06 24.38 4.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.77 -29.72 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -127.34 147.37 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.76 26.61 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.94 -65.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' HD2' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -57.57 -24.31 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.81 -18.22 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -103.35 16.57 26.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LYS . 62.2 m-20 -129.07 -40.44 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.96 HD12 ' HB2' ' A' ' 87' ' ' ALA . 20.6 mt -84.5 -49.05 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 38.5 p -103.37 -0.8 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.1 149.76 41.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.858 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 35.7 m -90.75 -42.54 10.63 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -117.27 135.1 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER 84.51 -5.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 107' ' ' GLU . 20.4 t -69.99 151.45 45.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 1.026 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -56.48 -43.1 79.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.544 ' O ' HG22 ' A' ' 18' ' ' VAL . 69.4 m -63.73 -54.09 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.427 ' ND1' ' HG3' ' A' ' 16' ' ' GLN . 94.2 m-70 -112.61 67.75 0.66 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.72 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.023 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.086 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.026 HMA3 ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.999 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.747 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 122.064 0.935 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.747 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 95.2 Cg_exo -47.68 127.46 14.11 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.298 3.332 . . . . 0.0 109.577 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER 87.78 153.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.17 89.45 14.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 70.1 Cg_exo -40.53 162.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.327 3.351 . . . . 0.0 109.584 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.19 158.54 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.21 168.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.96 9.46 8.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -103.02 126.92 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.705 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.91 135.13 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -99.87 111.15 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -138.91 52.86 1.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.92 -15.86 52.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.406 HG23 ' O1D' ' A' ' 111' ' ' HEC . 3.2 p -112.58 -156.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -91.0 30.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -158.06 104.85 1.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 59.4 Cg_endo -83.07 113.44 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -116.85 118.31 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.705 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -84.43 149.39 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.688 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -150.01 118.83 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.24 130.12 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -59.21 -22.76 61.54 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.77 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -65.18 -36.21 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.37 0.95 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 70.2 m80 -149.3 50.66 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.743 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 26.68 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.64 142.47 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 136.32 58.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -59.16 -26.38 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.96 -4.81 63.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.01 -34.41 26.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.2 m -105.55 -49.23 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -90.73 80.03 5.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.793 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.3 p80 -70.0 154.86 94.31 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.102 0.876 . . . . 0.0 109.776 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.4 120.41 5.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.298 3.332 . . . . 0.0 109.615 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -114.96 149.01 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 41.45 29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.54 59.12 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp -179.9 102.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 0.811 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.2 mt-10 -34.83 123.99 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.58 141.9 45.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD2' ' N ' ' A' ' 1' ' ' ALA . 14.7 m-85 -133.75 22.6 3.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.831 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -92.44 172.47 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.576 ' O ' HMC3 ' A' ' 109' ' ' HEC . 12.3 mttp -37.77 136.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.44 -45.69 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.08 -84.99 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER 54.03 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 119.52 29.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.2 -19.73 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 m -114.49 -137.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.018 ' CE1' HG11 ' A' ' 68' ' ' VAL . 66.0 m-70 -63.22 79.24 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.735 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.48 26.49 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -102.25 117.48 34.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -132.1 58.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.96 -166.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -124.31 93.5 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.2 mmmt 166.02 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.55 130.57 20.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 7.9 mttt -127.69 9.04 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.565 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.5 t -56.17 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -75.23 -3.0 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -87.99 -30.31 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -53.27 117.09 6.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.625 ' CE2' ' O2D' ' A' ' 111' ' ' HEC . 1.9 t80 -64.37 -63.4 1.15 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.819 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' C ' ' CD1' ' A' ' 66' ' ' TYR . 2.9 p90 -65.38 -8.26 17.77 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.936 -0.554 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 61' ' ' SER . 37.8 t60 -84.77 -28.94 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.018 HG11 ' CE1' ' A' ' 52' ' ' HIS . 32.6 m -93.91 24.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.597 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.29 31.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 73.1 m80 -157.0 -77.26 0.09 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -45.12 147.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -109.24 -7.87 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -88.94 44.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.45 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 17.9 p -115.91 165.47 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -39.74 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE2' ' CG ' ' A' ' 35' ' ' HIS . 10.9 m-30 -113.12 161.58 16.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -69.41 158.78 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.784 ' O ' HMC3 ' A' ' 110' ' ' HEC . 18.3 p -115.19 -148.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.429 ' HA ' ' CHC' ' A' ' 110' ' ' HEC . 76.4 m -105.83 -39.93 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.042 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.8 t -80.79 -31.43 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.4 -70.1 1.08 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.987 ' O ' HG23 ' A' ' 86' ' ' VAL . 12.2 t -44.31 -46.59 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.766 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.042 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.3 t -74.37 -36.44 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -78.91 -9.85 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 82' ' ' CYS . 54.8 t -84.74 -49.63 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.75 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.2 -61.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.03 30.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -102.71 125.65 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.39 24.57 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -126.1 -52.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.641 ' HD2' HD11 ' A' ' 97' ' ' LEU . 1.3 mmtp -65.03 -28.62 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -82.76 4.22 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -126.31 0.67 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 92' ' ' ALA . 2.1 m-20 -121.03 -27.77 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.641 HD11 ' HD2' ' A' ' 93' ' ' LYS . 25.2 mt -94.43 -39.9 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 72.5 p -104.43 -0.36 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.2 151.55 49.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.74 -19.27 13.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 23.8 tptp -129.31 123.5 31.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.9 ttmt 81.14 -2.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 41.3 t -71.79 157.49 37.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.981 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.0 OUTLIER -57.32 -28.02 62.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.0 m -81.57 -72.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -90.76 56.51 3.28 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.76 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.998 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.576 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.041 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.703 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 122.146 0.974 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.717 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 52.7 Cg_exo -53.39 111.01 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.624 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -40.82 135.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.29 145.25 37.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.95 177.6 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.344 3.363 . . . . 0.0 109.571 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -79.32 135.28 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.9 42.84 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.698 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -125.95 128.25 47.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.799 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.29 138.42 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.475 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.2 OUTLIER -110.43 106.92 16.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.6 pt-20 -137.14 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.83 -16.38 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.56 HG23 ' O2D' ' A' ' 111' ' ' HEC . 3.8 p -112.97 -160.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 5.4 mtmm -91.9 24.06 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -147.91 88.9 5.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.06 128.38 18.53 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.288 3.325 . . . . 0.0 109.595 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.98 115.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.799 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.2 147.83 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.698 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -145.41 116.64 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.61 135.46 34.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' LYS . 22.9 m80 -65.67 -34.14 77.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.743 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 p -54.4 -53.87 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -58.63 -17.74 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' HIS . 68.3 m80 -129.03 38.63 3.9 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.719 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.621 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 ttpt -93.94 103.01 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.67 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 t -58.58 133.86 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -49.01 126.18 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.8 -24.25 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.338 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.64 -3.32 58.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -82.71 -33.55 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.449 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.5 m -109.63 -42.89 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -96.81 78.69 2.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.768 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.6 p80 -72.69 159.62 84.89 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 109.752 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 20.6 Cg_exo -64.54 132.16 32.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.317 3.345 . . . . 0.0 109.619 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.004 HG11 HBC2 ' A' ' 109' ' ' HEC . 5.2 t -135.06 110.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.23 39.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.99 48.99 64.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.53 103.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.4 mt-10 -31.99 126.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.54 147.33 34.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -136.32 23.44 3.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -91.15 169.71 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.652 ' HD3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -37.23 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.54 -47.9 83.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.56 -84.45 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.652 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.97 167.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.41 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.62 120.52 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.03 -14.97 13.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -120.07 -139.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.015 ' CE1' HG11 ' A' ' 68' ' ' VAL . 60.0 m-70 -62.2 74.16 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.764 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.6 p-10 -106.0 24.5 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -106.87 123.58 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -130.76 58.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -113.74 171.21 7.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.49 80.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.99 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.39 129.43 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 14.3 pttt -122.1 27.48 8.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 37.6 t -69.53 176.99 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.044 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -65.15 -11.99 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 -14.67 43.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.49 119.45 12.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.0 t80 -66.83 -52.91 38.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.829 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.799 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.2 t80 -75.59 -0.63 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.824 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 15.2 t60 -98.82 -10.28 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.015 HG11 ' CE1' ' A' ' 52' ' ' HIS . 24.7 m -110.14 17.97 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.626 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.88 25.81 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.799 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -152.18 -72.02 0.15 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.79 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.643 ' HB3' HG23 ' A' ' 74' ' ' THR . 8.9 t0 -40.22 155.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.44 3.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.68 2.29 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' HB3' ' A' ' 71' ' ' ASP . 23.3 p -71.61 165.27 24.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -40.37 96.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -114.05 156.77 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -64.5 158.6 23.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.407 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -117.45 -95.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.8 m -152.28 -47.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.342 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 49.5 t -71.81 -32.93 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.9 -71.48 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 t -44.04 -46.63 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -60.08 -37.07 78.8 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.764 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 54.9 t -67.52 -32.97 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.8 -21.83 34.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 82' ' ' CYS . 64.9 t -90.08 -38.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -38.17 -31.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' VAL . . . 54.03 -163.88 2.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 50.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 15.7 t0 -121.72 114.52 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.44 26.15 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.526 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -115.72 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -22.75 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -58.82 -16.45 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.63 17.85 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.15 -43.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' O ' HMC1 ' A' ' 111' ' ' HEC . 15.7 mt -78.52 -47.28 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 49.9 p -104.84 -2.72 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.32 158.94 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.883 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 22.6 m -105.54 -40.76 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 7.5 tppt? -123.57 128.92 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 89.38 -4.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.4 t -68.46 155.05 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.959 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.4 mptp? -55.39 -39.83 70.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.5 m -69.92 -59.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.44 62.21 0.85 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.739 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.348 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.013 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.004 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.0 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.883 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.459 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.109 0.957 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.839 ' HG2' HMB3 ' A' ' 108' ' ' HEC . 40.9 Cg_endo -91.74 -15.51 1.36 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.361 3.374 . . . . 0.0 109.541 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 3.9 mtmp? 75.34 158.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.38 105.78 55.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 53.2 Cg_exo -53.28 178.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.47 141.91 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.02 29.17 2.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -110.5 123.99 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.252 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.898 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.53 145.91 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.52 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 3.0 mtp -111.63 113.1 25.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 1.5 pt-20 -140.71 54.66 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.13 -24.69 34.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.581 HG23 ' O1D' ' A' ' 111' ' ' HEC . 4.0 p -104.82 -159.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -90.23 13.29 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 HE21 HAA2 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -135.91 88.91 21.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.39 129.53 20.44 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 124.326 3.351 . . . . 0.0 109.601 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.78 120.86 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.898 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.03 152.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.35 117.09 4.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.62 134.07 44.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -63.23 -22.69 67.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.74 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -65.66 -33.76 76.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 p -86.47 0.15 54.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -147.16 50.02 1.1 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.801 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.77 0.17 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.6 m -107.51 26.95 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.5 t -134.23 142.21 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -58.24 131.53 50.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.15 -24.91 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.74 60.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.4 -34.45 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.496 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -106.95 -45.87 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.319 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.93 84.31 5.33 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.745 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 p80 -82.06 157.54 68.48 Favored Pre-proline 0 CA--C 1.54 0.576 0 O-C-N 124.127 0.892 . . . . 0.0 109.722 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.4 Cg_exo -64.2 140.42 71.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.078 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.4 t -136.49 -74.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLY . 2.3 m-20 -88.28 67.07 8.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ASN . . . 36.1 37.41 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.8 tttt -176.81 105.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.791 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.605 ' C ' ' O ' ' A' ' 40' ' ' LYS . 35.3 mt-10 -20.46 115.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.523 ' HB2' HG23 ' A' ' 37' ' ' VAL . 1.1 m-20 -94.52 149.53 21.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -135.29 24.31 3.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.803 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.1 mtt180 -91.97 168.95 11.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.773 ' HD3' HG23 ' A' ' 48' ' ' THR . 1.8 mptp? -37.54 140.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.8 m -60.89 -46.63 89.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.26 -85.18 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.773 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.32 167.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.373 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.64 122.07 30.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.79 -21.04 11.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -114.18 -139.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.959 ' CE1' HG11 ' A' ' 68' ' ' VAL . 62.7 m-70 -61.8 77.87 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.747 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.1 p-10 -108.09 24.77 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 124.39 51.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.516 ' SD ' HG22 ' A' ' 14' ' ' THR . 3.2 mtt -132.47 58.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.75 -169.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.1 tptm -129.81 93.07 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 168.46 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.74 122.51 19.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.4 mttm -115.34 27.94 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.529 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 3.1 t -74.28 -174.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.33 -4.92 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -92.02 -11.61 35.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -71.45 117.21 6.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.5 t80 -65.71 -56.39 12.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.013 -0.594 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.789 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -72.86 -1.99 18.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.821 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 21.2 t60 -97.93 -11.06 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.959 HG11 ' CE1' ' A' ' 52' ' ' HIS . 28.1 m -109.8 20.47 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.593 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -155.68 29.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.1 m80 -153.61 -76.55 0.12 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.735 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.94 153.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -114.58 -10.79 12.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.51 44.79 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -115.8 166.17 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -113.82 156.87 23.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -64.88 158.15 25.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.65 ' O ' HMC3 ' A' ' 110' ' ' HEC . 16.1 p -114.64 -149.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -105.28 -40.42 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.043 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.4 t -80.58 -31.0 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.02 -71.7 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.2 t -43.95 -47.09 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.97 -36.14 72.17 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.801 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.5 t -69.87 -41.52 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.88 -2.31 26.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 82' ' ' CYS . 98.4 t -113.87 -58.6 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 1.02 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -77.84 56.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.44 25.72 4.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.82 -30.99 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 92' ' ' ALA . 17.8 t0 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.77 28.14 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.462 ' HB3' ' OD2' ' A' ' 90' ' ' ASP . . . -113.51 -62.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.806 ' HD2' HD11 ' A' ' 97' ' ' LEU . 4.4 ttmm -62.1 -23.69 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.52 -17.08 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.57 15.68 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.67 -43.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.02 HD12 ' HB2' ' A' ' 87' ' ' ALA . 12.5 mt -80.62 -45.75 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.7 p -108.3 3.65 23.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.24 157.62 18.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.879 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 33.3 m -102.02 -41.87 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 2.0 tptp -120.93 133.15 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 5.0 tptt 86.34 -7.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 26.4 t -65.9 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.985 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.4 mptp? -60.6 -42.34 96.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.0 m -67.63 -56.89 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -107.46 65.37 0.65 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 0.997 HBC3 HMC1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 1.078 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 1.043 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 0.879 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 122.036 0.922 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.455 ' O ' ' CMB' ' A' ' 108' ' ' HEC . 94.7 Cg_exo -44.59 144.65 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.294 3.329 . . . . 0.0 109.609 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 4' ' ' ALA . 2.7 mmmt -65.74 143.06 57.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -38.43 101.59 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' HG2' ' C3A' ' A' ' 108' ' ' HEC . 63.6 Cg_exo -43.83 162.24 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.317 3.345 . . . . 0.0 109.586 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.91 140.38 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.87 167.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.29 23.02 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -108.24 124.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.915 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.2 135.42 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -101.41 116.99 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -146.21 56.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.9 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.572 HG23 ' O1D' ' A' ' 111' ' ' HEC . 3.2 p -91.69 -156.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -91.11 24.48 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -150.17 105.36 3.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.9 Cg_endo -81.12 131.4 7.79 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.303 3.336 . . . . 0.0 109.632 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -135.85 113.16 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.915 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -80.92 149.85 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.622 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -151.41 118.51 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' OG1' ' A' ' 24' ' ' THR . 19.5 m-20 -96.53 135.51 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -66.76 -29.8 69.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -64.21 -34.54 78.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.934 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 15.8 p -84.35 5.16 28.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.496 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 80.0 m80 -151.17 51.27 0.84 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.765 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -20.59 14.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t -93.77 40.46 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -135.59 144.06 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.22 118.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.3 t -54.7 -20.5 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.59 14.2 62.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.6 -37.65 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.4 m -97.08 -47.95 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.22 78.55 4.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.787 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.6 p80 -71.67 159.97 83.95 Favored Pre-proline 0 CA--C 1.54 0.573 0 O-C-N 124.08 0.863 . . . . 0.0 109.708 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 23.0 Cg_exo -63.49 132.1 34.36 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.265 3.31 . . . . 0.0 109.601 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.995 HG11 HBC2 ' A' ' 109' ' ' HEC . 11.4 t -138.1 122.99 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' OD1' HG12 ' A' ' 37' ' ' VAL . 0.4 OUTLIER 63.46 38.8 9.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.98 58.23 12.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.0 ttmm 171.62 102.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.5 mt-10 -28.72 127.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.13 147.57 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -135.43 25.08 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.806 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.3 mtm180 -92.34 169.28 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.637 ' O ' HMC3 ' A' ' 109' ' ' HEC . 20.6 mttt -37.64 141.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.95 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.29 -85.43 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 54.33 166.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.386 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.56 120.44 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.66 -14.79 12.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -121.02 -139.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.939 ' CE1' HG11 ' A' ' 68' ' ' VAL . 59.1 m-70 -61.59 75.38 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.752 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.5 p-10 -105.34 23.63 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 t -111.01 124.52 52.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.532 ' SD ' HG22 ' A' ' 14' ' ' THR . 3.0 mtt -129.26 57.47 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.65 169.71 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 2.4 tptp -123.7 92.04 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mtpt 164.28 -36.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.37 94.99 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -68.89 -119.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.5 m 84.85 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.13 -4.71 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -14.7 26.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.14 118.64 8.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.59 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.5 t80 -66.34 -54.09 28.62 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.006 -0.597 . . . . 0.0 109.804 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.806 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.9 t80 -74.79 -0.3 17.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.826 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 16.0 t60 -100.03 -7.49 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.939 HG11 ' CE1' ' A' ' 52' ' ' HIS . 30.6 m -113.42 18.06 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.59 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.96 26.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.806 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.99 -80.92 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.747 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.72 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.45 -8.98 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -88.01 45.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 p -118.29 165.25 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -40.61 93.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.581 ' O ' HMA2 ' A' ' 109' ' ' HEC . 54.8 m-85 -118.11 150.2 39.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -60.23 157.3 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -111.88 -95.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.9 m -153.69 -47.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.064 HG22 HMC2 ' A' ' 111' ' ' HEC . 56.1 t -71.18 -36.37 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.44 -69.69 1.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.476 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.7 t -44.25 -47.8 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' ALA . 11.3 m170 -58.95 -36.46 74.83 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.771 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.4 t -67.22 -31.38 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.2 -22.56 28.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 82' ' ' CYS . 65.3 t -89.38 -34.64 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -38.66 -31.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' VAL . . . 53.06 -165.35 1.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.76 49.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.752 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 6.6 t70 -123.75 116.08 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.57 27.13 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.752 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -116.28 -50.28 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.692 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 19.0 mtpp -78.48 -20.08 51.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.85 -8.75 38.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.5 15.95 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -135.32 -44.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.692 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 15.9 mt -75.94 -41.19 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 53.0 p -109.07 2.22 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -52.96 159.86 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.874 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 9.8 m -106.19 -38.09 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 12.1 tptp -124.36 127.11 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.0 tptm 85.13 -1.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 t -63.2 159.88 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.989 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.72 -44.92 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.05 67.14 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.735 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HEC . . . . . 1.044 HBB3 HMB1 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HEC . . . . . 0.995 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HEC . . . . . 0.99 HBC3 HMC1 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HEC . . . . . 1.064 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 122.018 0.913 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -49.21 165.71 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.286 3.324 . . . . 0.0 109.601 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.28 144.36 32.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.95 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.19 20.79 5.46 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.619 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -105.64 126.59 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.909 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.34 141.83 45.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtp -107.95 119.06 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -147.39 57.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.6 -36.16 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.7 p -91.06 -156.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.45 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 9.2 mttt -91.31 24.12 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.64 104.18 3.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.3 Cg_endo -80.73 131.97 8.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 105' ' ' CYS . 88.6 t -136.73 116.99 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.909 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -83.19 150.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -153.1 116.79 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.46 126.25 49.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -54.07 -28.34 38.38 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -58.35 -42.87 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.9 p -77.2 -2.9 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -144.33 48.32 1.37 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.724 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -105.05 5.18 32.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 31.41 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -137.19 139.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -54.82 127.64 29.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.37 -25.07 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.03 -2.47 62.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -83.3 -37.54 23.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.11 -44.22 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.268 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -95.09 78.39 3.54 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.75 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.626 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.6 p80 -70.28 155.03 94.08 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 0.0 109.775 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -75.67 121.39 6.29 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.306 3.338 . . . . 0.0 109.604 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.626 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -114.85 148.76 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.9 m120 40.08 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.83 60.5 6.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' GLU . 15.7 ttpt 178.88 103.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.2 mt-10 -33.37 124.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -109.36 134.15 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -129.8 22.69 5.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.823 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.7 mtt180 -95.14 171.46 8.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 44' ' ' ARG . 5.2 mttp -37.59 136.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.49 -46.01 91.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -73.68 -84.6 0.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.74 167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.8 120.86 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.83 -24.06 9.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.127 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -107.94 -135.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.049 ' CE1' HG11 ' A' ' 68' ' ' VAL . 74.3 m-70 -64.94 86.09 0.05 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.744 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.61 -17.97 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' TYR . 2.6 t -62.85 120.61 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.6 mtt -137.84 61.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -126.86 171.56 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.8 ttpm? -107.99 79.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 163.21 -80.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.89 128.62 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 61' ' ' SER . 6.3 mtmm -103.09 -137.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER 86.48 167.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.486 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -64.68 -30.7 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -29.58 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.98 114.65 3.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.9 t80 -65.64 -48.86 70.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -0.604 . . . . 0.0 109.812 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.1 t80 -78.64 -1.65 35.3 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.831 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 61' ' ' SER . 18.7 t60 -97.21 -11.62 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.049 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.9 m -106.16 15.67 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.565 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.068 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -155.29 -73.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.78 149.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 -14.53 13.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -87.61 46.48 1.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.3 p -116.64 165.19 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.05 92.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -112.28 157.17 21.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 157.94 31.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.4 p -115.52 -148.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 74.1 m -105.75 -40.11 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.251 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.059 ' O ' HG23 ' A' ' 84' ' ' VAL . 73.1 t -80.56 -31.42 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.02 -71.23 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.764 ' O ' HG23 ' A' ' 86' ' ' VAL . 9.1 t -44.16 -46.43 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.69 -35.94 73.41 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.702 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.059 HG23 ' O ' ' A' ' 80' ' ' VAL . 73.4 t -70.0 -42.33 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.12 -2.95 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 82' ' ' CYS . 93.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.806 ' HD2' HD11 ' A' ' 97' ' ' LEU . 4.6 ttmm . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.455 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.47 -17.14 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.76 15.99 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -129.96 -43.65 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.806 HD11 ' HD2' ' A' ' 93' ' ' LYS . 11.1 mt -80.27 -46.51 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.6 p -107.04 3.02 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.43 154.77 25.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.7 m -98.71 -44.38 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.8 tptp -118.95 133.97 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 86.49 -8.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.7 t -65.91 158.77 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -41.31 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.405 ' HA ' HG13 ' A' ' 18' ' ' VAL . 34.8 m -67.81 -60.17 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -101.58 62.73 0.94 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.72 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 122.063 0.935 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.93 176.89 9.45 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.92 147.94 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.24 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 17.83 6.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.35 120.88 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.967 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.97 139.79 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.6 mtp -105.55 119.57 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -147.7 58.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.01 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -93.26 -156.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.0 mtmt -91.04 22.89 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.87 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.331 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 83.5 Cg_endo -80.72 130.64 7.8 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.325 3.35 . . . . 0.0 109.548 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.12 117.87 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.967 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -83.61 149.24 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -154.33 116.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.69 131.54 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.72 -31.47 69.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.757 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -56.51 -41.05 76.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -81.01 1.26 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.3 49.76 1.1 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.776 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.42 -11.49 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 31.43 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 t -136.83 134.49 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.03 129.42 30.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.45 -25.6 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 108.245 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.01 -3.2 67.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.27 -32.15 29.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.73 -45.55 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -93.92 75.36 4.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.781 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.8 p80 -69.74 159.1 85.26 Favored Pre-proline 0 CA--C 1.539 0.553 0 O-C-N 124.131 0.894 . . . . 0.0 109.762 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.3 Cg_exo -65.88 128.69 20.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.322 3.348 . . . . 0.0 109.589 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.581 HG22 ' CE1' ' A' ' 35' ' ' HIS . 2.9 t -129.71 119.16 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 62.52 41.52 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.83 56.54 20.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp 176.46 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.1 mt-10 -31.87 129.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -113.43 139.1 49.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.07 20.69 4.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.814 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.4 mtt180 -88.82 171.1 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 44' ' ' ARG . 16.6 mttt -39.77 123.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 m -43.27 -41.65 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.17 -94.18 0.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 56.46 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.15 119.86 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.92 -11.1 8.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.6 m -133.27 -138.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.971 ' CE1' HG11 ' A' ' 68' ' ' VAL . 70.5 m-70 -60.58 87.38 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -104.42 -17.61 14.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.53 124.64 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.1 mtt -141.81 63.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -137.46 -172.1 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -118.46 90.26 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 4.2 mttt 170.08 -73.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.31 126.65 28.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.7 mtmt -117.19 9.96 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -58.89 169.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.24 -31.62 44.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -30.83 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.03 116.11 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.4 t80 -69.81 -41.17 75.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.997 -0.601 . . . . 0.0 109.838 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.788 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -85.3 -2.81 58.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.847 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' A' ' 74' ' ' THR . 14.8 t60 -96.08 -11.32 26.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.971 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -105.77 16.08 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.542 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.38 30.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.788 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 77.8 m80 -155.38 -75.08 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.79 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.68 155.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -8.89 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.18 50.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 67' ' ' HIS . 22.9 p -118.45 165.4 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.02 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.12 169.0 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -74.2 158.62 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.22 -154.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 72.8 m -95.78 -52.33 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 108.286 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.045 ' O ' HG23 ' A' ' 84' ' ' VAL . 83.7 t -72.92 -28.96 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.22 -73.33 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.5 t -43.4 -49.34 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -55.31 -37.65 67.65 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.774 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 80' ' ' VAL . 58.1 t -70.41 -39.68 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.74 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 82' ' ' CYS . 77.9 t . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.13 -8.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -115.14 15.76 17.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HB3' ' CE ' ' A' ' 104' ' ' LYS . 43.0 m-20 -136.67 -46.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 17.2 mt -70.65 -43.28 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 76.3 p -100.74 -4.97 27.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -66.36 159.3 47.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -75.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 122.02 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt 60.75 41.46 14.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -105.63 -172.74 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' CE ' ' HB3' ' A' ' 96' ' ' ASP . 53.8 mmtt -91.37 30.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 96.4 m -152.19 -62.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.264 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.44 59.03 1.1 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.797 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 122.058 0.932 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.28 177.73 8.4 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 0.0 109.587 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.69 145.38 25.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.23 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.91 21.28 5.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.99 130.79 51.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.651 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -139.82 137.43 34.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.5 mtp -105.95 115.01 29.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 7.1 pt-20 -144.24 55.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.91 29.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.5 p -97.03 -157.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 20.8 mttt -90.79 22.51 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.14 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.8 Cg_endo -80.61 132.43 8.86 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.37 3.38 . . . . 0.0 109.586 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.13 120.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.651 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.67 149.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -155.13 115.53 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.37 131.82 44.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -59.61 -23.08 62.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.798 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.4 p -65.44 -36.29 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -83.99 -0.72 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -146.17 48.83 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.778 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 1.6 29.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.22 28.12 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.47 138.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 130.22 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -55.01 -26.78 39.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.305 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.51 -3.07 57.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -83.01 -35.82 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -104.51 -44.41 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.28 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -95.96 77.42 3.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.788 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.811 ' CE1' HG22 ' A' ' 37' ' ' VAL . 8.4 p80 -70.38 154.79 94.24 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 124.12 0.888 . . . . 0.0 109.805 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.41 120.18 5.83 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 0.0 109.608 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.811 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -119.12 145.47 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.61 25.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.99 60.15 6.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.1 tttp 176.69 102.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' LYS . 31.5 mt-10 -35.26 123.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 40' ' ' LYS . 3.3 m-20 -112.48 133.48 54.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.55 20.54 8.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -86.49 170.37 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' CYS . 25.8 mttp -40.29 119.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LYS . 64.2 m -41.18 -39.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.84 -92.61 0.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 54.87 150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 0.729 . . . . 0.0 110.394 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.23 120.26 16.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.05 -15.78 8.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 9.5 m -125.99 -136.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.027 ' CE1' HG11 ' A' ' 68' ' ' VAL . 75.5 m-70 -61.71 88.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.77 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.37 -16.66 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -62.73 123.65 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.2 mtt -140.73 62.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -130.35 -166.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -124.43 89.18 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 14.8 mtpt 165.61 -74.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.52 130.13 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -120.89 11.63 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 t -59.32 169.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.84 -29.03 59.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.8 115.79 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.18 -43.32 74.44 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.007 -0.597 . . . . 0.0 109.793 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.6 t80 -84.38 -0.91 54.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.875 -0.583 . . . . 0.0 109.812 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.0 t60 -97.29 -11.45 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.027 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.07 14.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.0 30.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.1 m80 -156.95 -73.05 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.41 151.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.63 -17.47 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.58 48.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.442 HG22 ' CE1' ' A' ' 67' ' ' HIS . 21.3 p -116.9 165.47 13.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -40.38 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.07 160.72 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -67.01 158.09 31.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.0 p -116.39 -149.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.5 m -104.9 -41.25 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.04 ' O ' HG23 ' A' ' 84' ' ' VAL . 73.7 t -80.47 -30.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.32 -72.01 0.65 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.795 ' O ' HG23 ' A' ' 86' ' ' VAL . 11.4 t -43.55 -47.84 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.63 -37.24 70.47 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.731 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.7 t -70.63 -40.58 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.09 -4.91 41.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 82' ' ' CYS . 76.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 7.9 ttmm . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.439 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -76.42 -1.43 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 1.19 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -116.81 -31.51 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.452 ' CD1' ' HG2' ' A' ' 93' ' ' LYS . 35.8 mt -90.84 -43.5 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -107.79 1.39 22.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.02 159.1 4.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 36.8 m -104.86 -42.76 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 26.5 tptt -125.63 127.83 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 90.62 7.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 48.0 t -84.21 160.11 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -39.34 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.9 m -70.68 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -97.78 60.79 1.54 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 122.047 0.927 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.29 177.43 8.77 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -85.31 147.92 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.16 168.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 15.05 7.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.12 123.34 45.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.866 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.55 142.43 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.4 mtp -109.63 120.86 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -148.83 59.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.61 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -101.66 -156.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 5.2 mttt -91.81 27.31 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.423 ' CG ' ' C ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -155.78 104.79 2.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 97.7 Cg_endo -78.96 134.2 11.66 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.29 3.327 . . . . 0.0 109.629 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.67 112.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.866 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -80.78 150.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.85 116.74 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -99.85 131.6 45.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -58.81 -27.49 65.11 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.828 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -60.5 -39.82 89.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 68.0 p -80.97 0.79 33.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -146.71 49.44 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.775 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -106.03 2.84 27.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -111.61 29.6 7.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -136.26 137.41 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.87 127.16 24.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.94 -25.18 19.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 108.301 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.0 -3.77 65.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -82.12 -36.18 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.84 -43.03 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -97.05 78.07 2.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.8 p80 -68.86 154.66 94.62 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.156 0.91 . . . . 0.0 109.781 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -75.87 120.91 5.97 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.345 3.363 . . . . 0.0 109.609 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.548 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.68 147.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 39.97 33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.98 58.59 12.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.5 ttmt -178.1 102.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.7 mt-10 -34.91 124.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -109.92 136.42 49.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.14 22.86 4.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.806 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.4 mtt180 -95.0 173.15 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.7 OUTLIER -37.63 136.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.65 -44.7 96.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.47 -85.02 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.17 167.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.76 121.83 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.52 -24.4 9.75 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.7 m -108.34 -137.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.051 ' CE1' HG11 ' A' ' 68' ' ' VAL . 68.0 m-70 -63.08 78.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.77 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -106.29 23.97 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -110.81 121.29 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.2 mtt -127.46 56.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -107.78 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.6 tttp -116.06 82.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 6.8 mttt 165.48 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -39.61 128.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.1 mtmp? -112.91 23.11 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -72.95 159.17 34.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.473 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -52.78 -32.32 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -26.08 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.01 117.35 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.555 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.2 t80 -66.11 -50.86 62.57 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.978 -0.611 . . . . 0.0 109.821 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.803 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.4 t80 -77.82 0.0 25.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.6 t60 -98.77 -10.43 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.051 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.9 m -108.98 16.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.555 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.803 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.9 m80 -156.06 -72.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.749 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.39 149.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.492 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -110.5 -15.83 13.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.21 47.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.9 p -115.8 166.25 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -41.16 96.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 11.0 m-85 -110.9 165.5 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -71.21 157.75 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.6 p -115.72 -155.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.8 m -105.95 -37.37 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.933 ' O ' HG23 ' A' ' 84' ' ' VAL . 67.1 t -88.07 -7.96 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -83.93 -70.86 1.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 1.04 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.6 t -45.9 -38.2 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.45 -37.1 79.89 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.761 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 80' ' ' VAL . 64.4 t -72.67 -32.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.32 -4.94 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 82' ' ' CYS . 71.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 5.4 mtpp . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.438 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -72.65 -5.13 35.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -122.39 -1.16 9.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.71 -30.25 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 97' ' ' LEU . 1.6 mt -90.31 -42.55 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -105.45 -1.72 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.17 156.23 1.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 29.6 m -103.4 -42.68 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.4 tppt? -127.0 129.83 48.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 10.0 ttpt 90.32 -1.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 43.5 t -75.98 158.94 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -36.62 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.7 m -74.89 -61.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -103.96 64.58 0.79 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.731 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 122.092 0.948 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.51 177.58 8.2 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -88.6 150.02 23.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.3 m-20 -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.33 7.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -99.03 120.58 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.853 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.79 139.13 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.8 116.38 31.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -144.13 55.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p -103.97 -157.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.432 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 13.4 mtmt -91.14 29.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' CG ' ' C ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -157.23 104.35 1.87 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 95.8 Cg_endo -78.7 129.51 9.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.303 3.335 . . . . 0.0 109.622 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.32 112.07 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.853 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -80.92 149.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -153.03 116.29 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.11 129.18 46.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 25.7 m80 -58.99 -19.7 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.749 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -64.89 -43.98 91.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.2 p -77.62 -2.4 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -142.5 47.35 1.58 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.79 3.7 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.29 31.05 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -136.12 144.13 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -58.46 126.12 26.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.06 -24.16 23.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.81 -2.3 64.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.65 -37.78 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -100.99 -45.61 5.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.276 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.36 77.11 3.92 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.763 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.761 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.2 p80 -68.86 154.66 94.63 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.199 0.937 . . . . 0.0 109.775 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.83 118.2 5.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.316 3.344 . . . . 0.0 109.633 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.761 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.4 t -114.68 147.51 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 43.14 28.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.94 58.5 9.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.2 tttp -179.81 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.8 mt-10 -34.84 124.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.76 138.62 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -130.08 13.64 5.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.57 176.89 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.239 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -46.74 133.49 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.2 -27.41 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -116.63 49.17 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.81 148.23 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 130.19 14.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 97.46 14.44 41.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.0 m -150.98 -133.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.951 ' CE1' HG11 ' A' ' 68' ' ' VAL . 80.9 m-70 -69.52 91.5 0.58 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.793 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 17.89 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -91.26 115.13 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.73 59.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -139.47 -167.49 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.69 89.01 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 7.0 mttt 170.23 -74.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 -40.37 130.99 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.29 3.68 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 178.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -62.09 -14.7 39.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -70.81 -35.5 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.58 121.97 1.98 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.2 t80 -78.71 -41.49 30.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.991 -0.605 . . . . 0.0 109.834 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.742 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -85.91 -5.5 59.22 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.871 -0.585 . . . . 0.0 109.824 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -94.0 -10.75 32.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.559 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.951 HG11 ' CE1' ' A' ' 52' ' ' HIS . 20.9 m -105.83 16.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.55 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.46 34.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.742 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.3 m80 -156.54 -63.58 0.1 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB3' HG23 ' A' ' 74' ' ' THR . 0.4 OUTLIER -55.7 170.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 74' ' ' THR . 4.8 pttt -126.94 -44.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -45.45 -26.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.579 HG23 ' HB3' ' A' ' 71' ' ' ASP . 20.8 p -40.91 162.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -37.3 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -114.54 165.68 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.09 158.14 36.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 52.6 p -113.83 -149.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.957 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 69.8 m -106.06 -37.26 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.061 ' O ' HG23 ' A' ' 84' ' ' VAL . 91.2 t -82.16 -34.1 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -54.65 -71.07 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.625 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.9 t -43.95 -47.74 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.36 -35.98 70.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.061 HG23 ' O ' ' A' ' 80' ' ' VAL . 82.6 t -70.29 -35.86 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.45 -11.22 59.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 82' ' ' CYS . 90.8 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.93 -17.9 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.11 17.2 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -43.71 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 13.6 mt -79.78 -45.58 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.8 p -108.02 1.87 22.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.02 150.86 45.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.587 1.179 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 73.6 m -93.39 -47.32 6.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 136.39 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 81.03 -3.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 24.4 t -70.53 153.72 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.95 -41.91 83.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.3 m -68.06 -59.26 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.429 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 91.8 m-70 -105.96 64.61 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.766 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 122.037 0.922 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.5 Cg_exo -40.08 161.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.287 3.325 . . . . 0.0 109.637 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.48 146.95 46.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.29 167.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.04 29.46 2.17 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -113.94 121.81 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.954 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.76 144.79 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.7 mtp -111.59 118.11 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -146.51 57.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.28 -36.19 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.537 HG22 ' SD ' ' A' ' 55' ' ' MET . 2.6 p -91.99 -157.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 20.5 mtpt -90.5 30.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.16 103.89 2.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 96.8 Cg_endo -80.46 130.12 7.81 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.31 3.34 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.7 t -135.23 115.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.239 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.954 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -84.14 146.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -147.37 116.53 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -95.55 133.31 39.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -65.22 -28.7 69.55 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.767 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.3 p -62.72 -37.67 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 p -82.05 2.19 32.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -147.33 48.84 1.11 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -11.21 17.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p -93.76 23.9 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.58 137.04 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.63 132.17 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.2 m -54.73 -25.25 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.74 -2.32 60.59 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -83.34 -33.94 25.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.68 -44.41 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -94.33 81.66 4.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CE1' HG22 ' A' ' 37' ' ' VAL . 8.8 p80 -80.39 157.44 72.78 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.192 0.933 . . . . 0.0 109.74 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.5 Cg_exo -65.63 136.05 44.5 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.336 3.358 . . . . 0.0 109.573 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.535 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.4 t -135.8 -76.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.62 66.25 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 29.5 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.83 135.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.9 mt-10 -35.74 119.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -100.22 144.22 29.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 9.4 m-85 -131.66 24.44 4.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -91.11 168.92 11.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' ARG . 31.2 mttt -39.27 130.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.9 m -49.89 -41.42 45.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 108.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.61 -93.14 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.524 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.17 150.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.409 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.92 119.95 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.88 -9.83 9.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.3 m -133.52 -139.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.835 ' CE1' HG11 ' A' ' 68' ' ' VAL . 63.1 m-70 -61.3 76.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.9 p-10 -106.52 23.38 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -109.0 124.49 50.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.537 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.1 mtt -128.82 57.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.56 -166.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 3.4 tptp -143.57 97.81 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 13.7 tttm 164.39 -41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -87.75 118.66 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.73 48.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 6.5 t -95.59 178.94 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -74.65 -5.51 43.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -91.41 -4.33 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.083 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.76 121.81 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.601 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -70.97 -52.76 17.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.846 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.812 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.6 t80 -77.66 0.89 21.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.452 ' ND1' ' OD2' ' A' ' 71' ' ' ASP . 15.2 t60 -99.76 -9.32 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.835 HG11 ' CE1' ' A' ' 52' ' ' HIS . 28.5 m -111.57 16.33 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.601 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.44 26.91 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.812 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -154.6 -70.44 0.13 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.787 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 2.6 m-20 -45.88 152.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -118.0 -4.38 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -97.2 49.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 p -119.82 164.43 16.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -62.88 -39.64 95.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.66 159.47 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 159.73 32.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.97 -148.22 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 75.8 m -102.7 -49.72 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.05 ' O ' HG23 ' A' ' 84' ' ' VAL . 82.7 t -75.34 -28.11 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -58.06 -72.18 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.878 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.9 t -43.66 -48.91 7.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.45 -37.11 64.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.744 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.05 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.0 t -73.06 -34.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.74 -4.13 57.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 82' ' ' CYS . 55.8 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -78.22 -1.15 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -123.68 -1.29 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.465 ' C ' HD23 ' A' ' 97' ' ' LEU . 5.9 m-20 -117.48 -27.54 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 97' ' ' LEU . 2.8 mt -94.17 -42.41 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.0 p -106.09 -0.69 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.71 155.97 3.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 41.3 m -101.28 -42.7 6.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.1 tptp -125.76 133.83 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 87.73 -6.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 47.7 t -70.42 158.51 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.15 -36.41 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.8 -65.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -98.93 60.96 1.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.766 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.126 0.965 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.49 177.57 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.294 3.33 . . . . 0.0 109.623 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -86.89 144.84 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.46 43.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.76 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -131.55 132.45 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.72 134.64 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -108.23 82.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.5 pt-20 -118.22 38.47 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.9 -18.23 64.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -110.97 -158.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 1.3 mtmt -91.99 27.32 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mp0 -150.0 89.18 4.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 16.0 Cg_exo -68.2 115.58 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.326 3.351 . . . . 0.0 109.599 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.0 t -131.72 114.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -88.52 146.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.76 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -141.92 116.55 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.14 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -66.92 -32.86 74.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.761 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -56.08 -38.67 70.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -80.9 -1.32 42.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -149.52 50.59 0.94 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.766 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -16.31 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -91.21 32.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 t -138.78 138.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 136.46 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -58.49 -24.99 61.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.2 -4.62 68.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.51 -32.78 28.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -108.29 -49.13 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -90.42 77.23 6.58 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.765 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.8 p80 -68.94 158.94 84.91 Favored Pre-proline 0 CA--C 1.539 0.555 0 O-C-N 124.199 0.937 . . . . 0.0 109.763 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.9 Cg_exo -64.01 129.95 26.01 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.273 3.316 . . . . 0.0 109.64 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.592 HG22 ' CE1' ' A' ' 35' ' ' HIS . 4.4 t -132.4 111.46 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.55 40.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.89 44.68 71.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -171.28 103.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' LYS . 38.5 mt-10 -33.34 127.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.59 147.23 40.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.95 20.72 3.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.821 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.42 168.13 16.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' ARG . 10.9 mttt -39.58 126.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.27 -43.03 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.261 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.516 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -83.74 -94.32 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.56 150.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 122.8 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.82 -6.74 13.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 m -138.73 -140.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.992 ' CE1' HG11 ' A' ' 68' ' ' VAL . 58.0 m-70 -60.24 81.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -113.49 26.39 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -103.61 121.03 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.4 mtt -132.97 58.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -126.31 171.43 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 35.0 tttm -110.23 79.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 3.4 mmtm 163.82 -77.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t0 -39.78 119.78 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -97.01 -141.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER 86.83 173.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.482 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -71.25 -15.09 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.02 -33.69 76.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.75 123.3 6.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.54 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.4 t80 -71.82 -49.39 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.017 -0.591 . . . . 0.0 109.79 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 66' ' ' TYR . 2.1 p90 -78.76 -8.9 59.19 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.821 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.444 ' O ' HG21 ' A' ' 74' ' ' THR . 14.0 t60 -89.04 -8.82 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.992 HG11 ' CE1' ' A' ' 52' ' ' HIS . 29.3 m -111.2 21.41 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.12 28.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 79.3 m80 -147.71 -74.57 0.19 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.795 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HB3' HG23 ' A' ' 74' ' ' THR . 42.5 t0 -54.42 158.6 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -112.83 -34.32 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -47.61 -26.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 67' ' ' HIS . 22.1 p -44.12 165.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -39.7 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -110.15 169.3 8.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.53 158.42 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.2 p -118.95 -174.03 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.2 m -79.28 -41.45 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.054 ' O ' HG23 ' A' ' 84' ' ' VAL . 65.2 t -79.32 -36.15 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -50.57 -70.24 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.7 t -44.87 -49.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -57.6 -33.95 68.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.803 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 80' ' ' VAL . 88.0 t -70.84 -33.52 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.88 -3.73 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -73.5 -1.47 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.57 3.67 12.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.73 -28.02 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.1 mt -96.64 -44.37 7.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.1 p -107.4 2.83 24.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.19 154.04 53.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 84.6 m -91.47 -47.6 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 144.61 35.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.31 7.55 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.3 t -80.06 150.77 30.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.76 -43.92 73.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 m -67.24 -59.71 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.588 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 98.8 m-70 -101.5 62.04 0.93 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.776 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.125 0.964 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' A' ' 4' ' ' ALA . 88.1 Cg_exo -41.0 163.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.327 3.352 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.2 146.38 29.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.91 167.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.52 18.18 5.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.664 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -108.39 126.38 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.95 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.9 140.96 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 mtp -103.22 120.66 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -148.55 58.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.76 -35.57 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.433 HG22 ' SD ' ' A' ' 55' ' ' MET . 2.7 p -93.02 -156.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.42 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 1.2 mtpt -91.13 28.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -153.56 103.52 2.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 87.3 Cg_endo -81.07 131.1 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.309 3.339 . . . . 0.0 109.609 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 105' ' ' CYS . 71.4 t -136.07 118.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -81.97 150.39 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.664 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -152.44 117.5 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' OG1' ' A' ' 24' ' ' THR . 2.7 m-80 -103.0 131.27 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -60.61 -29.5 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.754 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 p -57.2 -44.0 83.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 57.5 p -75.94 -4.04 38.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -143.11 47.68 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.784 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -104.58 2.1 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 29.79 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.078 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -135.05 140.63 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 127.81 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.6 -24.66 22.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.76 -3.74 68.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -82.07 -34.89 29.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -105.85 -44.24 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -94.93 78.09 3.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.787 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.2 p80 -69.59 154.82 94.47 Favored Pre-proline 0 CA--C 1.539 0.539 0 O-C-N 124.146 0.903 . . . . 0.0 109.777 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.91 121.68 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 0.0 109.633 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.587 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -115.22 148.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 41.19 29.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.64 60.8 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.58 104.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.6 mt-10 -33.16 123.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' CB ' HG23 ' A' ' 37' ' ' VAL . 9.8 t70 -107.6 134.63 50.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -131.39 19.38 4.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' LYS . 46.5 mtm180 -92.8 172.51 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -37.17 136.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.08 -45.93 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.31 -84.47 0.31 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.02 168.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.395 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.58 122.57 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.88 -22.98 11.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -110.76 -138.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.978 ' CE1' HG11 ' A' ' 68' ' ' VAL . 65.3 m-70 -62.26 81.32 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.757 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -112.06 27.29 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -112.47 117.65 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.433 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.0 mtt -125.15 55.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -111.18 172.14 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -110.35 80.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 1.7 mttt 171.44 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t0 -40.21 131.26 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.6 mtpp -125.35 22.72 7.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -72.66 -179.4 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -69.41 -8.41 46.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -11.79 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.81 115.38 5.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.589 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.9 t80 -63.57 -54.88 29.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.846 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.81 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.1 t80 -73.17 -1.82 19.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.846 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 19.0 t60 -97.49 -12.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.978 HG11 ' CE1' ' A' ' 52' ' ' HIS . 20.2 m -107.93 18.87 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.589 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.15 27.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.81 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 78.8 m80 -153.18 -80.41 0.1 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.717 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.94 154.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -5.48 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -90.23 41.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -114.89 165.98 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.96 91.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 17.7 m-30 -118.28 153.17 34.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -61.71 159.36 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -115.54 -95.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 86.3 m -153.13 -47.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.259 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.032 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.9 t -72.82 -32.7 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.34 -70.23 1.02 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.7 t -44.4 -48.15 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.82 -35.89 71.5 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.772 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.9 t -71.85 -33.01 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 2.0 tt0 -82.87 -8.15 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 82' ' ' CYS . 67.0 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.545 ' HZ3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.73 -18.05 7.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.41 18.72 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -134.8 -43.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.545 HD21 ' HZ3' ' A' ' 93' ' ' LYS . 16.0 mt -78.69 -47.08 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 55.1 p -104.76 -1.27 26.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.97 2.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 18.8 m -103.12 -40.45 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.3 pttt -123.06 131.4 53.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER 87.42 -6.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' GLU . 13.7 t -66.54 151.34 47.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.41 -42.31 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.484 ' HA ' HG13 ' A' ' 18' ' ' VAL . 64.7 m -66.63 -54.64 21.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -107.92 65.52 0.64 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.771 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.093 0.949 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -45.16 166.92 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.253 3.302 . . . . 0.0 109.603 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.79 128.5 33.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.68 165.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.96 24.22 4.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 129.75 55.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.862 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.11 132.64 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -95.56 116.9 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.6 pt-20 -147.14 56.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.25 30.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -90.93 -158.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 7.2 mttp -90.61 30.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.61 102.96 2.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 85.8 Cg_endo -81.08 130.14 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.349 3.366 . . . . 0.0 109.576 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 105' ' ' CYS . 65.8 t -136.34 109.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.862 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -69.83 148.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.407 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -155.76 113.05 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -105.9 134.7 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -60.81 -17.82 51.78 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -69.3 -39.2 78.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 70.4 p -74.66 -4.73 39.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -146.69 49.7 1.14 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.617 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -99.46 103.9 15.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.66 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 32' ' ' ASP . 38.0 t -56.0 133.05 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 128.66 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.26 -24.5 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.36 -4.12 59.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' HG12 ' A' ' 28' ' ' VAL . 11.0 t70 -80.53 -31.46 37.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -111.82 -52.84 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.246 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -84.57 76.16 10.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 8.4 p80 -73.77 158.66 85.81 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 124.185 0.928 . . . . 0.0 109.745 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 19.8 Cg_exo -64.95 134.46 40.08 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.309 3.34 . . . . 0.0 109.59 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.3 t -133.37 -75.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.02 65.45 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.11 29.54 0.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.86 134.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.7 mt-10 -36.91 117.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.43 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -97.8 147.54 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -129.02 21.68 5.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.862 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -85.03 163.42 18.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' ARG . 9.5 mttm -39.81 133.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 23.8 m -48.2 -44.73 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.54 -93.81 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER 55.05 150.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 110.436 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.71 120.57 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -6.9 10.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -138.44 -139.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.972 ' CE1' HG11 ' A' ' 68' ' ' VAL . 62.8 m-70 -60.9 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.737 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 p-10 -109.72 25.1 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 t -103.67 122.23 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mtt -132.32 58.89 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -121.95 -167.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HA ' ' CE ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -130.11 90.79 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 mttt 170.88 -83.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.01 126.92 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 4.7 pttm -122.11 33.32 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.535 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 33.8 t -67.0 -167.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -70.63 -7.39 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -90.88 -12.92 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.03 121.8 14.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.6 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.2 t80 -70.92 -48.7 52.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.969 -0.616 . . . . 0.0 109.868 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.2 t80 -80.9 -0.66 40.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.902 -0.57 . . . . 0.0 109.862 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 13.8 t60 -99.22 -8.39 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.555 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.972 HG11 ' CE1' ' A' ' 52' ' ' HIS . 26.2 m -111.17 17.67 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.6 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.69 25.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.8 m80 -149.44 -61.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.731 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.719 ' HB3' HG23 ' A' ' 74' ' ' THR . 5.7 m-20 -51.59 177.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' THR . 10.3 pttm -136.58 -46.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 74' ' ' THR . 1.7 m-20 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.719 HG23 ' HB3' ' A' ' 71' ' ' ASP . 22.2 p -41.69 164.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -40.54 91.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.46 163.5 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -68.9 157.98 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.0 p -119.85 -170.71 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 85.4 m -79.28 -46.38 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.349 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.035 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.4 t -74.89 -33.05 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.55 -72.34 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.488 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.0 t -43.78 -50.49 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.1 -36.23 67.94 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.753 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.035 HG23 ' O ' ' A' ' 80' ' ' VAL . 61.3 t -70.98 -33.25 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.59 -19.99 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.5 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -68.08 -7.4 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -119.72 -0.48 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.53 -29.01 6.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 20.2 mt -92.09 -44.36 8.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 70.9 p -106.77 0.64 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.73 156.62 31.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 69.3 m -98.17 -46.01 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 142.8 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.66 5.59 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.7 t -78.97 151.53 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.62 -42.38 67.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.469 ' HA ' HG13 ' A' ' 18' ' ' VAL . 41.3 m -68.09 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -100.12 61.85 1.1 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.761 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.04 0.924 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 80.6 Cg_exo -40.53 162.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.261 3.307 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -84.66 179.14 7.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -44.17 167.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.32 -8.72 3.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.729 HD21 ' HD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -99.25 129.11 45.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 121.39 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -94.63 86.19 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.0 pt-20 -122.92 42.15 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.02 -23.74 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.7 p -104.39 -159.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 9.8 mtmm -92.84 30.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.3 OUTLIER -155.55 91.6 2.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 23.4 Cg_exo -64.5 127.37 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 0.0 109.624 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 16' ' ' GLN . 43.8 t -138.69 99.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -77.91 155.59 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.729 ' HD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -148.16 119.51 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -88.85 144.72 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -79.84 -28.69 40.04 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.782 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -68.47 -18.63 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -99.92 5.15 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -150.47 50.76 0.88 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.763 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -101.0 -21.17 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 37.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.6 t -135.1 144.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -47.78 119.83 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.503 ' HG ' ' HH ' ' A' ' 43' ' ' TYR . 12.6 t -54.88 -20.25 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.71 12.85 62.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.68 -38.19 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.19 -46.98 6.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -94.79 77.32 3.67 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.739 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.678 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.6 p80 -71.22 159.79 84.47 Favored Pre-proline 0 CA--C 1.539 0.557 0 O-C-N 124.124 0.89 . . . . 0.0 109.727 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.6 Cg_exo -64.17 130.63 27.75 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.341 3.36 . . . . 0.0 109.63 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.678 HG22 ' CE1' ' A' ' 35' ' ' HIS . 10.2 t -136.91 125.31 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.253 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.48 ' ND2' HG12 ' A' ' 37' ' ' VAL . 0.6 OUTLIER 63.29 35.46 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.63 18.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 tttm 171.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 40' ' ' LYS . 14.1 mt-10 -29.25 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.2 145.8 39.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.503 ' HH ' ' HG ' ' A' ' 30' ' ' CYS . 13.1 m-85 -132.86 23.87 4.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.791 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 mtm180 -91.51 169.1 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.708 ' HD3' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -37.64 141.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.6 m -61.06 -44.78 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -75.25 -85.89 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.708 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.57 167.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.433 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.98 121.47 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.77 -14.66 14.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 4.0 m -120.16 -139.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.951 ' CE1' HG11 ' A' ' 68' ' ' VAL . 64.9 m-70 -61.18 87.4 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.755 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -113.47 20.1 16.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -96.06 117.82 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.01 59.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -125.92 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -125.27 92.29 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 3.9 mttm 164.28 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.31 127.24 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 8.3 mttm -118.18 15.37 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.5 t -57.3 174.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.02 -31.54 51.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -32.25 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.37 116.51 3.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.557 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.5 t80 -69.28 -46.89 66.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.838 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.795 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -79.21 -2.98 43.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.777 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 60' ' ' LYS . 13.6 t60 -97.05 -10.05 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.951 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -107.39 15.24 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.557 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.18 26.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.795 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.5 m80 -150.32 -80.99 0.11 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.763 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -43.14 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -122.03 -1.02 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -92.13 43.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.406 HG22 ' CE1' ' A' ' 67' ' ' HIS . 23.5 p -119.37 164.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.556 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.1 92.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.556 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 62.9 m-85 -112.51 144.7 41.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.8 157.27 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -111.1 -114.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 73.9 m -138.04 -48.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.051 ' O ' HG23 ' A' ' 84' ' ' VAL . 54.8 t -73.33 -31.51 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.69 -70.31 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.661 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.9 t -43.9 -48.41 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.59 -37.28 70.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.8 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 80' ' ' VAL . 86.7 t -69.47 -31.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.75 -10.57 55.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 82' ' ' CYS . 65.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.775 ' HD2' HD11 ' A' ' 97' ' ' LEU . 6.5 ttmm . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -60.95 -14.5 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 13.49 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.38 -42.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.775 HD11 ' HD2' ' A' ' 93' ' ' LYS . 8.6 mt -81.55 -51.63 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.7 p -101.57 -4.67 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.01 150.56 9.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 62.0 m -94.73 -44.54 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.6 tptp -115.48 131.92 56.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.1 tttt 87.8 -7.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 29.4 t -67.06 154.79 40.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -59.56 -39.96 85.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.5 m -68.05 -55.46 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -109.82 65.73 0.62 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.728 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.056 0.932 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.39 160.95 15.22 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.334 . . . . 0.0 109.636 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -73.56 143.83 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.95 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.04 43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.722 HD21 ' HD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.89 132.82 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.61 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.98 133.69 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.1 mtp -105.88 95.91 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -128.83 46.97 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -17.88 60.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -112.22 -155.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 3.2 mttp -91.24 24.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -149.52 103.05 3.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 90.6 Cg_endo -83.35 110.16 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.261 3.307 . . . . 0.0 109.571 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 105' ' ' CYS . 78.8 t -122.13 116.03 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.61 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.37 144.25 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.722 ' HD1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -139.65 115.12 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -91.71 143.05 26.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -74.32 -26.91 60.45 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.764 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -69.58 -17.24 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 17.4 p -101.37 7.13 42.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -151.48 43.74 0.76 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.723 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.2 ptpp? -89.19 162.75 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.4 p 85.51 -47.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -51.1 132.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -53.55 122.82 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -52.93 -22.29 5.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.08 -5.29 70.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -80.0 -34.84 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -107.09 -43.44 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.07 73.57 2.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.61 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.0 p80 -69.07 158.36 86.74 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.147 0.904 . . . . 0.0 109.784 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 16.8 Cg_exo -66.5 128.44 19.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.32 . . . . 0.0 109.591 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.61 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.0 t -128.83 111.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.2 52.14 53.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.1 tttp -178.21 104.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 40' ' ' LYS . 15.5 mt-10 -32.67 127.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -111.54 133.89 53.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.15 17.27 7.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.96 172.66 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -40.93 123.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 m -42.68 -43.08 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.28 -93.76 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.507 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.76 151.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 123.58 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -8.87 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -136.15 -139.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.016 ' CE1' HG11 ' A' ' 68' ' ' VAL . 63.7 m-70 -59.75 81.62 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 52.4 t0 -115.45 27.97 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -106.12 118.08 35.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -131.52 58.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -122.35 -167.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.58 90.89 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER 167.96 -67.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 129.06 38.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -121.74 29.24 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.79 173.68 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.61 -29.39 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -63.83 -19.92 65.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.56 118.8 16.08 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.0 t80 -68.46 -49.09 62.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.951 -0.625 . . . . 0.0 109.794 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.814 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -78.47 -2.82 40.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.795 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' A' ' 74' ' ' THR . 13.6 t60 -96.98 -11.21 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.016 HG11 ' CE1' ' A' ' 52' ' ' HIS . 22.1 m -107.39 16.77 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.587 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.83 30.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.814 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 72.3 m80 -152.68 -74.4 0.14 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.39 151.56 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.4 -13.9 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -14.23 62.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.419 HG22 ' CE1' ' A' ' 67' ' ' HIS . 24.2 p -54.76 165.59 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 76' ' ' PHE . 25.9 tttp -64.87 -38.86 92.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.9 m-30 -107.99 162.83 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 157.7 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 82.6 p -121.72 -176.23 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.37 -46.1 28.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.046 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.2 t -77.52 -33.85 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.1 -70.58 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.902 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.2 t -44.22 -49.49 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -56.2 -35.02 66.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 80' ' ' VAL . 86.3 t -74.45 -33.4 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.99 -16.26 50.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 82' ' ' CYS . 74.9 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.459 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -73.5 -4.88 36.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -120.15 0.23 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -117.95 -26.24 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.7 mt -96.83 -43.69 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 46.2 p -107.21 2.44 24.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.39 155.97 27.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 25.7 m -97.47 -41.37 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -125.79 135.93 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 87.68 -8.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 40.8 t -71.55 159.64 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.73 -40.63 84.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.464 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.5 m -67.76 -61.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 87.5 m-70 -107.58 66.05 0.66 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.781 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 122.033 0.92 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 68.3 Cg_exo -40.29 162.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.34 3.36 . . . . 0.0 109.576 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -55.68 141.4 38.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.37 150.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 42.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -124.46 122.32 37.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.832 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -129.16 148.23 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.2 mtm -117.59 112.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 1.6 pt-20 -143.41 53.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -19.48 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -106.3 -158.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.9 mtpp -90.64 23.43 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -151.09 103.68 2.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 86.1 Cg_endo -80.67 126.96 6.17 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.284 3.323 . . . . 0.0 109.559 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.31 113.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.832 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.38 145.09 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -144.02 116.0 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.746 HD22 ' N ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -92.23 133.2 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -65.63 -28.31 69.02 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.752 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.0 p -64.96 -39.72 93.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 18.4 p -77.19 -2.4 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.7 m80 -144.29 46.98 1.41 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.773 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.07 -13.58 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -91.72 26.3 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -134.22 140.21 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.55 136.49 58.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -57.86 -25.84 61.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 108.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.1 -2.56 58.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -84.61 -36.74 21.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -103.63 -47.66 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -91.77 77.28 5.57 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.781 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.749 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.5 p80 -68.2 155.26 92.64 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.117 0.885 . . . . 0.0 109.78 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 118.72 5.42 Favored 'Trans proline' 0 N--CA 1.446 -1.301 0 C-N-CA 124.361 3.374 . . . . 0.0 109.593 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.749 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -115.25 147.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 44.1 27.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.36 57.79 10.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' GLU . 18.9 ttmt 179.46 103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.2 mt-10 -35.37 123.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -114.71 137.01 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.87 9.1 9.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.44 165.31 24.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -41.76 135.96 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.49 -29.27 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -116.65 48.72 0.91 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.22 147.89 22.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.7 125.67 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.74 15.47 26.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 m -150.91 -131.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.998 ' CE1' HG11 ' A' ' 68' ' ' VAL . 81.9 m-70 -71.95 88.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.788 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -105.05 -12.1 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 65' ' ' TYR . 2.1 t -63.9 120.97 12.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.4 mtt -142.46 63.25 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -138.26 -166.97 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 64.1 tttt -115.26 84.88 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.8 mmtp 163.81 -75.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 -40.13 113.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.6 mtpt -111.47 -10.46 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.7 m -43.7 166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.487 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -51.58 -23.14 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -30.5 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.4 118.35 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.8 t80 -75.69 -36.55 60.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.01 -0.595 . . . . 0.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -91.74 -3.55 56.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.865 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 15.3 t60 -95.63 -11.71 26.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.998 HG11 ' CE1' ' A' ' 52' ' ' HIS . 31.2 m -104.26 14.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.538 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.73 34.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.4 m80 -158.33 -66.29 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.806 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 74' ' ' THR . 7.3 m-20 -53.35 151.36 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 -27.62 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -23.7 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 71' ' ' ASP . 24.5 p -41.75 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.77 91.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -111.34 170.2 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -69.31 157.71 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.6 p -118.75 -175.22 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 70.9 m -79.91 -42.4 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 91.9 t -80.88 -32.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.5 -70.51 0.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.994 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.3 t -44.36 -48.72 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.02 -36.74 70.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.784 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 87.1 t -74.94 -33.48 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.429 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -82.3 -18.01 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 82' ' ' CYS . 53.3 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.3 pptp? -83.98 1.51 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -119.6 6.49 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -130.47 -43.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 29.3 mt -74.97 -36.96 62.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 68.7 p -108.52 -0.76 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.33 152.61 20.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 58.9 m -96.48 -46.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 150.25 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt 50.52 22.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -78.08 164.32 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' HA ' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -62.44 -21.59 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 m -99.1 -58.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.21 58.04 2.44 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 122.125 0.964 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -40.3 161.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.306 3.337 . . . . 0.0 109.612 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.55 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.04 170.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.12 17.01 6.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.716 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -105.54 125.21 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.953 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.64 140.2 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 1.8 mtp -104.68 118.73 37.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -146.59 58.39 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.09 -16.46 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.419 HG22 ' SD ' ' A' ' 55' ' ' MET . 3.7 p -112.62 -159.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 20.1 mtpt -91.92 23.04 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -146.6 88.91 5.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.41 130.36 22.23 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.612 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.07 119.7 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.953 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -86.96 152.96 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -155.54 118.22 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -104.96 131.3 52.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' HIS . 47.8 m80 -58.85 -28.92 66.53 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.744 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 p -55.86 -43.07 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 80.7 p -75.8 -4.33 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 60.6 m80 -142.68 44.51 1.61 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.715 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -99.43 101.71 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 t 148.34 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.88 135.83 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -48.99 122.16 5.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.465 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.4 m -53.68 -23.35 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.89 -3.95 69.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -82.34 -32.47 29.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -108.67 -44.02 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -95.32 82.48 3.72 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.701 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.4 p80 -79.74 154.75 75.9 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 124.21 0.944 . . . . 0.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.42 130.08 14.59 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.375 3.383 . . . . 0.0 109.543 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.9 t -127.57 -77.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.16 62.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.24 30.37 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -172.22 131.89 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.9 mt-10 -36.37 120.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.48 130.02 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 6.5 m-85 -126.09 20.47 7.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.2 mtm180 -97.15 175.21 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 44' ' ' ARG . 18.6 mttp -37.77 137.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.7 m -62.8 -47.35 83.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -71.76 -83.37 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.16 167.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.416 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.69 120.83 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.46 -23.32 9.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -110.88 -139.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.945 ' CE1' HG11 ' A' ' 68' ' ' VAL . 64.3 m-70 -60.99 76.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.6 p-10 -106.1 25.14 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -111.96 122.22 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.419 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.3 mtt -127.43 57.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -116.27 -171.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.12 93.81 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER 164.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 124.76 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.63 33.13 4.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -82.02 177.34 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.515 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.67 -5.3 39.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.86 -12.84 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.66 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.8 t80 -64.54 -53.0 54.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.965 -0.617 . . . . 0.0 109.839 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.804 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.5 t80 -75.09 0.09 17.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.904 -0.57 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 13.4 t60 -99.11 -9.3 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.64 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.945 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.1 m -111.74 16.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.617 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.3 23.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.804 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -151.16 -55.63 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.775 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 74' ' ' THR . 2.4 m-20 -52.58 -176.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -147.12 -47.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -49.66 -23.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 71' ' ' ASP . 22.8 p -42.05 164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.56 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -109.77 155.56 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.28 156.83 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.46 ' OG ' ' N ' ' A' ' 70' ' ' HIS . 9.2 t -121.16 -172.96 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.53 -59.92 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 44.9 t -61.42 -35.87 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.08 -72.57 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.591 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.4 t -44.08 -50.63 8.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.8 -35.82 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.8 t -71.02 -33.27 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.4 -8.84 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 82' ' ' CYS . 99.6 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.331 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.47 -18.2 6.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.14 21.23 17.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -137.94 -43.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.4 mt -78.36 -43.77 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 64.6 p -107.84 2.85 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.46 163.04 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.1 m -109.32 -38.84 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -127.79 130.86 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 3.2 ttmt 87.89 -8.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 t -64.86 155.21 34.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -53.71 -41.81 67.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.03 -57.83 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 108.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.73 64.96 0.81 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.761 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 122.08 0.943 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -41.44 163.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.292 3.328 . . . . 0.0 109.602 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.73 169.27 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -44.95 168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.87 8.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.59 1.181 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.74 121.58 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.829 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.31 144.27 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.6 mtp -108.97 105.3 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 1.1 mt-10 -132.73 50.53 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.18 42.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.452 HG22 ' SD ' ' A' ' 55' ' ' MET . 3.1 p -106.51 -160.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 10.2 mttp -92.33 24.16 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.55 87.76 5.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 23.3 Cg_exo -65.84 131.0 26.03 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.334 3.356 . . . . 0.0 109.617 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.0 t -139.2 115.03 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.829 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.5 152.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -97.21 134.1 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -64.93 -31.26 72.41 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.785 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -60.12 -40.46 89.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -78.63 -0.88 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -145.98 49.7 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.78 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -103.65 -15.02 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -98.14 36.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -131.62 145.91 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 120.22 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -54.69 -20.65 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 14.79 61.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.87 -33.46 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -102.31 -52.11 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -88.66 73.65 8.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.768 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.684 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.9 p80 -68.93 159.61 81.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.163 0.914 . . . . 0.0 109.787 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 22.7 Cg_exo -63.56 129.84 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.305 3.337 . . . . 0.0 109.608 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.684 HG22 ' CE1' ' A' ' 35' ' ' HIS . 10.6 t -136.35 120.5 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.501 ' ND2' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER 66.49 35.52 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 40' ' ' LYS . . . 56.63 58.85 12.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 41' ' ' GLU . 13.0 tttm 170.51 104.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.787 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.9 mt-10 -30.6 126.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.3 142.75 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -128.11 19.73 6.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 42.0 mtm180 -88.5 165.77 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.3 mttt -37.42 142.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.2 m -59.94 -41.92 92.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 51' ' ' CYS . . . -77.85 -87.6 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.76 167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.08 125.04 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.43 -15.45 22.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 3.9 m -120.48 -140.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.944 ' CE1' HG11 ' A' ' 68' ' ' VAL . 61.2 m-70 -61.05 82.52 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.713 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -112.06 27.28 9.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -110.87 116.21 30.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.452 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.0 mtt -124.74 55.73 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.26 -169.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.64 93.78 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 170.45 -58.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.83 119.95 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.583 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 10.8 pttt -107.79 23.33 14.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -59.97 -178.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -68.1 -9.93 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -19.82 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.03 117.85 13.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.591 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.7 t80 -67.08 -50.64 61.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.031 -0.584 . . . . 0.0 109.851 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.4 t80 -76.58 -1.15 26.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 12.4 t60 -98.29 -10.24 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.944 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.2 m -109.29 15.57 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.591 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.05 26.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.3 m80 -153.76 -76.22 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.736 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.47 152.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.08 -5.59 10.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.21 43.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.548 HG22 ' CE1' ' A' ' 67' ' ' HIS . 22.0 p -117.45 165.24 13.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.55 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.05 92.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 67.5 m-85 -112.99 155.48 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.31 158.88 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.434 ' HB3' ' CA ' ' A' ' 69' ' ' MET . 35.1 m -113.46 -124.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 99.2 m -127.26 -46.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.062 ' O ' HG23 ' A' ' 84' ' ' VAL . 69.2 t -77.75 -32.02 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.8 -70.98 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 t -43.61 -49.83 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.59 -36.5 66.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.712 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.062 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.8 t -70.13 -33.92 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.62 -8.0 59.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.8 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.589 ' HZ3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.78 -17.69 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -105.66 19.05 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -135.36 -43.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.589 HD21 ' HZ3' ' A' ' 93' ' ' LYS . 14.5 mt -78.27 -43.98 26.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 57.5 p -108.71 3.02 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 157.99 9.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 21.1 m -104.04 -40.5 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.3 tptp -121.37 130.25 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.6 ttmt 87.49 -8.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 107' ' ' GLU . 27.1 t -63.09 153.25 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -40.36 72.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -70.55 -50.12 40.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.93 68.69 0.68 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.723 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 122.082 0.944 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.6 Cg_exo -40.14 162.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.322 3.348 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -52.97 144.68 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.75 148.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.01 42.63 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -126.9 123.35 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.879 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.82 144.14 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mtp -113.42 112.53 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 14.2 pt-20 -142.38 54.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.3 40.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.1 p -93.82 -158.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 9.6 mttt -90.89 31.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -157.38 103.52 1.85 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.1 Cg_endo -80.93 128.24 6.49 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.276 3.317 . . . . 0.0 109.624 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.18 112.34 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.879 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.95 145.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -145.39 115.78 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -90.33 143.18 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CE1' ' CD2' ' A' ' 9' ' ' LEU . 19.5 m80 -74.79 -24.9 58.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.75 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.0 p -69.56 -21.01 63.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 20.6 p -96.12 -0.55 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -147.06 48.19 1.14 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.752 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -12.11 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 m -90.08 20.85 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 32' ' ' ASP . 53.3 t -131.76 141.75 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.35 139.34 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -58.82 -26.41 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.42 -3.49 58.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' HB3' HG12 ' A' ' 28' ' ' VAL . 5.3 t0 -83.69 -32.36 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -109.75 -46.11 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.319 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -94.33 76.38 3.93 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.772 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CE1' HG22 ' A' ' 37' ' ' VAL . 7.2 p80 -72.18 158.68 87.15 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.192 0.933 . . . . 0.0 109.751 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.22 128.21 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.283 3.322 . . . . 0.0 109.638 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.597 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.2 t -128.94 114.5 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.72 35.53 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.15 31.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 41' ' ' GLU . 17.0 tttt 178.29 103.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 40' ' ' LYS . 7.7 mt-10 -31.5 126.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.61 133.81 52.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.16 22.37 6.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.809 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -90.66 171.38 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . 3.1 mtpm? -40.29 122.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.4 m -42.63 -40.35 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.259 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.16 -93.4 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.521 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 55.44 150.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.46 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 119.63 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.3 -7.01 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 6.4 m -136.57 -138.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.995 ' CE1' HG11 ' A' ' 68' ' ' VAL . 71.4 m-70 -60.91 88.01 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.6 -15.78 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -61.98 122.71 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 mtt -142.08 62.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -131.9 -164.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -124.58 88.16 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 2.4 mmtp 165.84 -74.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.09 128.4 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.75 11.01 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.85 170.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.89 -30.03 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -29.0 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.9 116.36 3.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.79 -44.4 70.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.588 . . . . 0.0 109.827 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.808 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -82.74 -1.36 51.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.819 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' A' ' 74' ' ' THR . 12.8 t60 -97.67 -10.76 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.655 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.995 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.36 13.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -148.35 24.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.808 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.11 -79.91 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.775 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -41.11 151.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -9.82 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -87.34 47.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 67' ' ' HIS . 24.0 p -119.77 164.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -39.69 92.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -114.01 154.14 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -63.12 157.82 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.8 m -113.74 -121.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.93 -46.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.06 ' O ' HG23 ' A' ' 84' ' ' VAL . 72.1 t -76.87 -29.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.16 -70.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 1.015 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.1 t -43.92 -49.19 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -55.73 -36.93 67.79 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.772 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.06 HG23 ' O ' ' A' ' 80' ' ' VAL . 83.1 t -72.85 -34.07 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.2 -7.93 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 82' ' ' CYS . 76.7 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.435 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -77.3 -2.33 34.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -122.77 -1.7 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.457 ' C ' HD23 ' A' ' 97' ' ' LEU . 6.3 m-20 -117.17 -27.35 6.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.568 HD23 ' N ' ' A' ' 97' ' ' LEU . 2.3 mt -93.43 -44.03 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 62.7 p -103.61 -4.8 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.66 149.84 18.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 66.2 m -93.21 -47.19 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 137.56 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 78.79 -0.83 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' GLU . 11.8 t -71.86 148.95 45.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -40.61 59.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.02 -60.45 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 108.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -101.28 61.81 0.94 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.703 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 122.109 0.956 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.536 ' HG3' ' CE1' ' A' ' 22' ' ' HIS . 48.4 Cg_endo -67.35 176.58 4.65 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.354 3.369 . . . . 0.0 109.579 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -101.35 118.3 36.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -38.5 156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.26 18.54 5.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.885 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -96.85 143.52 27.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.12 135.51 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.2 mtp -100.51 96.33 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.3 pt-20 -124.87 44.81 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.08 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.6 p -113.92 -157.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -92.93 32.43 1.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' ND1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -156.71 91.26 2.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 15.5 Cg_exo -68.05 107.58 1.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.288 3.325 . . . . 0.0 109.636 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 105' ' ' CYS . 47.6 t -112.28 126.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.28 150.47 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.885 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -154.47 117.03 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.96 134.2 48.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 5' ' ' PRO . 35.3 m80 -63.05 -19.55 64.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -67.75 -27.34 66.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -93.44 -2.97 53.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -146.24 48.92 1.19 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.774 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -105.96 3.7 28.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -113.17 30.3 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -136.16 139.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 130.71 38.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 m -55.96 -26.63 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.18 -4.52 56.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -82.68 -32.53 28.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.21 -45.76 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.239 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -94.55 76.09 3.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.76 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.601 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.8 p80 -70.55 159.28 85.53 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.174 0.921 . . . . 0.0 109.754 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.04 128.7 20.18 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.318 3.345 . . . . 0.0 109.649 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.601 HG22 ' CE1' ' A' ' 35' ' ' HIS . 3.3 t -130.12 114.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.93 39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.62 49.68 64.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.9 ttpt -176.63 103.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.774 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' LYS . 22.3 mt-10 -32.02 129.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -114.16 137.78 51.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 10.2 m-85 -129.45 20.73 5.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.796 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.8 mtt180 -87.73 171.11 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.0 mttm -39.63 123.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -42.93 -42.93 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.4 -93.5 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.508 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.88 150.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.12 120.7 15.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.36 -8.27 10.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.0 m -135.98 -138.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.036 ' CE1' HG11 ' A' ' 68' ' ' VAL . 68.4 m-70 -60.01 89.46 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.769 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -105.89 -17.09 14.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 65' ' ' TYR . 1.4 t -61.97 119.33 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.6 mtt -140.17 62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -139.17 177.96 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 19.2 tttt -107.52 83.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 19.1 mttt 163.14 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.11 122.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 61' ' ' SER . 16.7 mmtt -105.24 -141.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 85.44 164.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.97 -26.52 48.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -62.22 -28.97 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.95 116.19 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.564 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.8 t80 -67.64 -46.15 73.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.968 -0.616 . . . . 0.0 109.826 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.815 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -80.69 -2.14 45.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.808 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.561 ' CE1' HG22 ' A' ' 74' ' ' THR . 10.5 t60 -98.14 -8.8 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.036 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.7 m -108.59 14.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -149.94 30.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.815 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 71.6 m80 -151.39 -82.11 0.1 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.693 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -49.84 150.81 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -111.4 -23.32 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 67' ' ' HIS . 20.6 p -52.7 165.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -61.85 -39.48 92.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -117.97 157.62 26.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -62.47 158.14 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -116.78 -95.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -153.1 -47.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.075 ' O ' HG23 ' A' ' 84' ' ' VAL . 48.3 t -72.94 -34.22 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.95 -68.86 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.644 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.9 t -45.13 -47.44 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.36 -34.18 70.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.075 HG23 ' O ' ' A' ' 80' ' ' VAL . 95.6 t -70.8 -39.21 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.43 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -77.56 -8.18 57.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 82' ' ' CYS . 91.2 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.488 ' HD2' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.461 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.81 -18.22 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -103.35 16.57 26.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LYS . 62.2 m-20 -129.07 -40.44 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.488 HD11 ' HD2' ' A' ' 93' ' ' LYS . 20.6 mt -84.5 -49.05 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 38.5 p -103.37 -0.8 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.1 149.76 41.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 35.7 m -90.75 -42.54 10.63 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -117.27 135.1 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER 84.51 -5.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 107' ' ' GLU . 20.4 t -69.99 151.45 45.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.48 -43.1 79.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.544 ' O ' HG22 ' A' ' 18' ' ' VAL . 69.4 m -63.73 -54.09 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.427 ' ND1' ' HG3' ' A' ' 16' ' ' GLN . 94.2 m-70 -112.61 67.75 0.66 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.72 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 122.056 0.931 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_exo -40.53 162.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.327 3.351 . . . . 0.0 109.584 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.19 158.54 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.21 168.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.96 9.46 8.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -103.02 126.92 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.705 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.91 135.13 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -99.87 111.15 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -138.91 52.86 1.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.92 -15.86 52.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.2 p -112.58 -156.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -91.0 30.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -158.06 104.85 1.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 59.4 Cg_endo -83.07 113.44 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -116.85 118.31 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.705 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -84.43 149.39 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.688 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -150.01 118.83 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.24 130.12 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -59.21 -22.76 61.54 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.77 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -65.18 -36.21 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.37 0.95 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -149.3 50.66 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.743 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 26.68 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.64 142.47 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 136.32 58.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -59.16 -26.38 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.96 -4.81 63.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.01 -34.41 26.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.2 m -105.55 -49.23 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -90.73 80.03 5.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.793 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.3 p80 -70.0 154.86 94.31 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.102 0.876 . . . . 0.0 109.776 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.4 120.41 5.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.298 3.332 . . . . 0.0 109.615 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -114.96 149.01 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 41.45 29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.54 59.12 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp -179.9 102.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 0.811 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.2 mt-10 -34.83 123.99 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.58 141.9 45.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.75 22.6 3.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.831 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -92.44 172.47 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' ARG . 12.3 mttp -37.77 136.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.44 -45.69 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.08 -84.99 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER 54.03 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 119.52 29.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.2 -19.73 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 m -114.49 -137.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.018 ' CE1' HG11 ' A' ' 68' ' ' VAL . 66.0 m-70 -63.22 79.24 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.735 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.48 26.49 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -102.25 117.48 34.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -132.1 58.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.96 -166.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -124.31 93.5 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.2 mmmt 166.02 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.55 130.57 20.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 7.9 mttt -127.69 9.04 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.565 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.5 t -56.17 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -75.23 -3.0 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -87.99 -30.31 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -53.27 117.09 6.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.597 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 1.9 t80 -64.37 -63.4 1.15 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.819 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 66' ' ' TYR . 2.9 p90 -65.38 -8.26 17.77 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.936 -0.554 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 61' ' ' SER . 37.8 t60 -84.77 -28.94 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.018 HG11 ' CE1' ' A' ' 52' ' ' HIS . 32.6 m -93.91 24.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.597 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.29 31.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 73.1 m80 -157.0 -77.26 0.09 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -45.12 147.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -109.24 -7.87 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -88.94 44.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 17.9 p -115.91 165.47 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -39.74 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE2' ' CG ' ' A' ' 35' ' ' HIS . 10.9 m-30 -113.12 161.58 16.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -69.41 158.78 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.3 p -115.19 -148.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -105.83 -39.93 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.042 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.8 t -80.79 -31.43 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.4 -70.1 1.08 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.987 ' O ' HG23 ' A' ' 86' ' ' VAL . 12.2 t -44.31 -46.59 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.766 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.042 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.3 t -74.37 -36.44 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.455 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -78.91 -9.85 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 82' ' ' CYS . 54.8 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.641 ' HD2' HD11 ' A' ' 97' ' ' LEU . 1.3 mmtp . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -82.76 4.22 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -126.31 0.67 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -121.03 -27.77 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.641 HD11 ' HD2' ' A' ' 93' ' ' LYS . 25.2 mt -94.43 -39.9 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 72.5 p -104.43 -0.36 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.2 151.55 49.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.74 -19.27 13.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 23.8 tptp -129.31 123.5 31.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.9 ttmt 81.14 -2.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 41.3 t -71.79 157.49 37.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.32 -28.02 62.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.0 m -81.57 -72.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -90.76 56.51 3.28 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.76 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 122.056 0.931 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.95 177.6 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.344 3.363 . . . . 0.0 109.571 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -79.32 135.28 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.9 42.84 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.698 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -125.95 128.25 47.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.799 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.29 138.42 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.43 106.92 16.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.6 pt-20 -137.14 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.83 -16.38 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 p -112.97 -160.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 5.4 mtmm -91.9 24.06 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.91 88.9 5.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.06 128.38 18.53 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.288 3.325 . . . . 0.0 109.595 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.98 115.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.799 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.2 147.83 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.698 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -145.41 116.64 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.61 135.46 34.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' LYS . 22.9 m80 -65.67 -34.14 77.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.743 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 p -54.4 -53.87 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -58.63 -17.74 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' HIS . 68.3 m80 -129.03 38.63 3.9 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.719 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.621 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 ttpt -93.94 103.01 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.67 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 t -58.58 133.86 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -49.01 126.18 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.8 -24.25 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.338 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.64 -3.32 58.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -82.71 -33.55 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -109.63 -42.89 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -96.81 78.69 2.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.768 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.6 p80 -72.69 159.62 84.89 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 109.752 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 20.6 Cg_exo -64.54 132.16 32.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.317 3.345 . . . . 0.0 109.619 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.549 HG22 ' CE1' ' A' ' 35' ' ' HIS . 5.2 t -135.06 110.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.23 39.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.99 48.99 64.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.53 103.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.4 mt-10 -31.99 126.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.54 147.33 34.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -136.32 23.44 3.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -91.15 169.71 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.652 ' HD3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -37.23 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.54 -47.9 83.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.56 -84.45 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.652 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.97 167.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.41 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.62 120.52 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.03 -14.97 13.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -120.07 -139.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.015 ' CE1' HG11 ' A' ' 68' ' ' VAL . 60.0 m-70 -62.2 74.16 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.764 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.6 p-10 -106.0 24.5 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -106.87 123.58 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -130.76 58.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -113.74 171.21 7.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.49 80.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.99 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.39 129.43 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 14.3 pttt -122.1 27.48 8.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 37.6 t -69.53 176.99 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.044 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -65.15 -11.99 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 -14.67 43.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.49 119.45 12.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.0 t80 -66.83 -52.91 38.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.829 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.799 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.2 t80 -75.59 -0.63 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.824 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 15.2 t60 -98.82 -10.28 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.015 HG11 ' CE1' ' A' ' 52' ' ' HIS . 24.7 m -110.14 17.97 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.626 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.88 25.81 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.799 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -152.18 -72.02 0.15 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.79 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.643 ' HB3' HG23 ' A' ' 74' ' ' THR . 8.9 t0 -40.22 155.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.44 3.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.68 2.29 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' HB3' ' A' ' 71' ' ' ASP . 23.3 p -71.61 165.27 24.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -40.37 96.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -114.05 156.77 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -64.5 158.6 23.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.407 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -117.45 -95.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.8 m -152.28 -47.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.342 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 49.5 t -71.81 -32.93 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.9 -71.48 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 t -44.04 -46.63 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -60.08 -37.07 78.8 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.764 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 54.9 t -67.52 -32.97 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.8 -21.83 34.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 82' ' ' CYS . 64.9 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -58.82 -16.45 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.63 17.85 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.15 -43.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.7 mt -78.52 -47.28 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 49.9 p -104.84 -2.72 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.32 158.94 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 22.6 m -105.54 -40.76 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 7.5 tppt? -123.57 128.92 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 89.38 -4.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.4 t -68.46 155.05 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.39 -39.83 70.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.5 m -69.92 -59.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.44 62.21 0.85 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.739 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.348 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.059 0.933 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.28 178.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.47 141.91 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.02 29.17 2.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -110.5 123.99 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.252 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.898 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.53 145.91 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.0 mtp -111.63 113.1 25.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.5 pt-20 -140.71 54.66 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.13 -24.69 34.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.516 HG22 ' SD ' ' A' ' 55' ' ' MET . 4.0 p -104.82 -159.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.1 mtmt -90.23 13.29 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -135.91 88.91 21.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.39 129.53 20.44 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 124.326 3.351 . . . . 0.0 109.601 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.78 120.86 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.898 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.03 152.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.35 117.09 4.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.62 134.07 44.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -63.23 -22.69 67.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.74 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -65.66 -33.76 76.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 p -86.47 0.15 54.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -147.16 50.02 1.1 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.801 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.77 0.17 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.6 m -107.51 26.95 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.5 t -134.23 142.21 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -58.24 131.53 50.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.15 -24.91 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.74 60.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.4 -34.45 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -106.95 -45.87 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.93 84.31 5.33 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.745 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 p80 -82.06 157.54 68.48 Favored Pre-proline 0 CA--C 1.54 0.576 0 O-C-N 124.127 0.892 . . . . 0.0 109.722 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.4 Cg_exo -64.2 140.42 71.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.523 HG23 ' HB2' ' A' ' 42' ' ' ASP . 3.4 t -136.49 -74.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -88.28 67.07 8.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ASN . . . 36.1 37.41 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.8 tttt -176.81 105.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.791 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.605 ' C ' ' O ' ' A' ' 40' ' ' LYS . 35.3 mt-10 -20.46 115.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.523 ' HB2' HG23 ' A' ' 37' ' ' VAL . 1.1 m-20 -94.52 149.53 21.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -135.29 24.31 3.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.803 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.1 mtt180 -91.97 168.95 11.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.773 ' HD3' HG23 ' A' ' 48' ' ' THR . 1.8 mptp? -37.54 140.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.8 m -60.89 -46.63 89.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.26 -85.18 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.773 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.32 167.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.373 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.64 122.07 30.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.79 -21.04 11.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -114.18 -139.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.959 ' CE1' HG11 ' A' ' 68' ' ' VAL . 62.7 m-70 -61.8 77.87 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.747 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.1 p-10 -108.09 24.77 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 124.39 51.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.516 ' SD ' HG22 ' A' ' 14' ' ' THR . 3.2 mtt -132.47 58.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.75 -169.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.1 tptm -129.81 93.07 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 168.46 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.74 122.51 19.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.4 mttm -115.34 27.94 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.529 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 3.1 t -74.28 -174.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.33 -4.92 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -92.02 -11.61 35.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -71.45 117.21 6.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.593 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.5 t80 -65.71 -56.39 12.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.013 -0.594 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.789 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -72.86 -1.99 18.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.821 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 21.2 t60 -97.93 -11.06 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.959 HG11 ' CE1' ' A' ' 52' ' ' HIS . 28.1 m -109.8 20.47 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.593 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -155.68 29.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.1 m80 -153.61 -76.55 0.12 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.735 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.94 153.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -114.58 -10.79 12.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.51 44.79 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -115.8 166.17 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -113.82 156.87 23.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -64.88 158.15 25.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.1 p -114.64 -149.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -105.28 -40.42 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.043 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.4 t -80.58 -31.0 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.02 -71.7 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.2 t -43.95 -47.09 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.97 -36.14 72.17 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.801 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.5 t -69.87 -41.52 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.88 -2.31 26.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 82' ' ' CYS . 98.4 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.806 ' HD2' HD11 ' A' ' 97' ' ' LEU . 4.4 ttmm . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.52 -17.08 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.57 15.68 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.67 -43.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.806 HD11 ' HD2' ' A' ' 93' ' ' LYS . 12.5 mt -80.62 -45.75 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.7 p -108.3 3.65 23.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.24 157.62 18.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -102.02 -41.87 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 2.0 tptp -120.93 133.15 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 5.0 tptt 86.34 -7.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 26.4 t -65.9 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -60.6 -42.34 96.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.0 m -67.63 -56.89 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -107.46 65.37 0.65 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.042 0.925 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -43.83 162.24 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.317 3.345 . . . . 0.0 109.586 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.91 140.38 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.87 167.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.29 23.02 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -108.24 124.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.915 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.2 135.42 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.41 116.99 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -146.21 56.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.9 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.532 HG22 ' SD ' ' A' ' 55' ' ' MET . 3.2 p -91.69 -156.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -91.11 24.48 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -150.17 105.36 3.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.9 Cg_endo -81.12 131.4 7.79 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.303 3.336 . . . . 0.0 109.632 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -135.85 113.16 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.915 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -80.92 149.85 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.612 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -151.41 118.51 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' OG1' ' A' ' 24' ' ' THR . 5.8 m120 -96.53 135.51 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -66.76 -29.8 69.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -64.21 -34.54 78.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.934 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 15.8 p -84.35 5.16 28.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -151.17 51.27 0.84 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.765 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -20.59 14.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t -93.77 40.46 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -135.59 144.06 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.22 118.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.427 ' HG ' ' HH ' ' A' ' 43' ' ' TYR . 13.3 t -54.7 -20.5 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.305 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.59 14.2 62.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.6 -37.65 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -97.08 -47.95 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.22 78.55 4.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.787 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.6 p80 -71.67 159.97 83.95 Favored Pre-proline 0 CA--C 1.54 0.573 0 O-C-N 124.08 0.863 . . . . 0.0 109.708 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 23.0 Cg_exo -63.49 132.1 34.36 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.265 3.31 . . . . 0.0 109.601 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.642 HG22 ' CE1' ' A' ' 35' ' ' HIS . 11.4 t -138.1 122.99 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.567 ' ND2' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER 63.46 38.8 9.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.98 58.23 12.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.0 ttmm 171.62 102.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.5 mt-10 -28.72 127.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.13 147.57 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' HH ' ' HG ' ' A' ' 30' ' ' CYS . 15.4 m-85 -135.43 25.08 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.806 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.3 mtm180 -92.34 169.28 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 44' ' ' ARG . 20.6 mttt -37.64 141.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.95 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.29 -85.43 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 54.33 166.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.386 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.56 120.44 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.66 -14.79 12.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -121.02 -139.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.939 ' CE1' HG11 ' A' ' 68' ' ' VAL . 59.1 m-70 -61.59 75.38 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.752 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.5 p-10 -105.34 23.63 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 t -111.01 124.52 52.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.532 ' SD ' HG22 ' A' ' 14' ' ' THR . 3.0 mtt -129.26 57.47 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.65 169.71 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 2.4 tptp -123.7 92.04 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mtpt 164.28 -36.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.37 94.99 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -68.89 -119.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.5 m 84.85 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.13 -4.71 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -14.7 26.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.14 118.64 8.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.59 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.5 t80 -66.34 -54.09 28.62 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.006 -0.597 . . . . 0.0 109.804 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.806 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.9 t80 -74.79 -0.3 17.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.826 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 16.0 t60 -100.03 -7.49 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.939 HG11 ' CE1' ' A' ' 52' ' ' HIS . 30.6 m -113.42 18.06 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.59 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.96 26.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.806 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.99 -80.92 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.747 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.72 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.45 -8.98 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -88.01 45.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 p -118.29 165.25 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -40.61 93.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -118.11 150.2 39.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -60.23 157.3 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -111.88 -95.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.9 m -153.69 -47.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 1.054 ' O ' HG23 ' A' ' 84' ' ' VAL . 56.1 t -71.18 -36.37 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.44 -69.69 1.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.476 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.7 t -44.25 -47.8 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -58.95 -36.46 74.83 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.771 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.4 t -67.22 -31.38 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.2 -22.56 28.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 82' ' ' CYS . 65.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.692 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 19.0 mtpp . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.85 -8.75 38.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.5 15.95 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -135.32 -44.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.692 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 15.9 mt -75.94 -41.19 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 53.0 p -109.07 2.22 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -52.96 159.86 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 9.8 m -106.19 -38.09 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 12.1 tptp -124.36 127.11 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.0 tptm 85.13 -1.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 t -63.2 159.88 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.472 ' HA ' ' CE ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.72 -44.92 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.05 67.14 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.735 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.458 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 122.026 0.917 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 33.5 Cg_endo -82.83 -162.72 0.18 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.309 3.339 . . . . 0.0 109.638 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -129.09 117.49 20.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.302 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -37.4 99.09 0.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 3' ' ' LYS . 48.6 Cg_exo -49.21 165.71 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.286 3.324 . . . . 0.0 109.601 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.28 144.36 32.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.95 167.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.19 20.79 5.46 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.453 1.095 . . . . 0.0 110.999 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.619 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -105.64 126.59 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 109.283 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.909 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.34 141.83 45.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.5 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.4 mtp -107.95 119.06 38.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.1 OUTLIER -147.39 57.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.6 -36.16 26.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.483 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.7 p -91.06 -156.72 0.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.45 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 9.2 mttt -91.31 24.12 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.64 104.18 3.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.3 Cg_endo -80.73 131.97 8.49 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.271 3.314 . . . . 0.0 109.6 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.405 HG13 ' HA ' ' A' ' 105' ' ' CYS . 88.6 t -136.73 116.99 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.909 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -83.19 150.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -153.1 116.79 4.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.986 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.46 126.25 49.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -54.07 -28.34 38.38 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.783 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.3 p -58.35 -42.87 87.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.011 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.9 p -77.2 -2.9 36.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 110.414 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -144.33 48.32 1.37 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.724 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -105.05 5.18 32.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.28 31.41 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.6 t -137.19 139.98 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -54.82 127.64 29.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.37 -25.07 33.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.354 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.03 -2.47 62.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.496 1.122 . . . . 0.0 111.062 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -83.3 -37.54 23.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -102.11 -44.22 5.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -95.09 78.39 3.54 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.75 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.626 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.6 p80 -70.28 155.03 94.08 Favored Pre-proline 0 CA--C 1.54 0.558 0 O-C-N 124.159 0.912 . . . . 0.0 109.775 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -75.67 121.39 6.29 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.306 3.338 . . . . 0.0 109.604 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.626 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -114.85 148.76 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.9 m120 40.08 30.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.83 60.5 6.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 41' ' ' GLU . 15.7 ttpt 178.88 103.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.2 mt-10 -33.37 124.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.644 ' OD2' HMC2 ' A' ' 109' ' ' HEC . 33.2 t70 -109.36 134.15 52.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -129.8 22.69 5.4 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.823 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.7 mtt180 -95.14 171.46 8.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.594 ' O ' HMC3 ' A' ' 109' ' ' HEC . 5.2 mttp -37.59 136.91 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 62.0 m -61.49 -46.01 91.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 108.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -73.68 -84.6 0.28 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.74 167.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.8 120.86 31.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.83 -24.06 9.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.127 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.9 m -107.94 -135.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.049 ' CE1' HG11 ' A' ' 68' ' ' VAL . 74.3 m-70 -64.94 86.09 0.05 Allowed 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.981 -1.008 . . . . 0.0 109.744 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -101.61 -17.97 16.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 65' ' ' TYR . 2.6 t -62.85 120.61 11.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.96 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 19.6 mtt -137.84 61.41 1.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -126.86 171.56 11.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.8 ttpm? -107.99 79.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER 163.21 -80.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -41.89 128.62 3.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 61' ' ' SER . 6.3 mtmm -103.09 -137.07 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.541 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.0 OUTLIER 86.48 167.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.987 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -64.68 -30.7 71.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -29.58 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.98 114.65 3.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.565 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.9 t80 -65.64 -48.86 70.76 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -0.604 . . . . 0.0 109.812 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.1 t80 -78.64 -1.65 35.3 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.831 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 61' ' ' SER . 18.7 t60 -97.21 -11.62 24.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.049 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.9 m -106.16 15.67 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.565 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 111.068 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -155.29 -73.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.997 -1.002 . . . . 0.0 109.77 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.78 149.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -112.37 -14.53 13.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.352 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -87.61 46.48 1.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.3 p -116.64 165.19 13.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.07 -40.05 92.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -112.28 157.17 21.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.71 157.94 31.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.732 ' O ' HMC3 ' A' ' 110' ' ' HEC . 17.4 p -115.52 -148.99 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 74.1 m -105.75 -40.11 5.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 108.251 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.059 ' O ' HG23 ' A' ' 84' ' ' VAL . 73.1 t -80.56 -31.42 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.02 -71.23 0.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.764 ' O ' HG23 ' A' ' 86' ' ' VAL . 9.1 t -44.16 -46.43 8.79 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.69 -35.94 73.41 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.702 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.059 HG23 ' O ' ' A' ' 80' ' ' VAL . 73.4 t -70.0 -42.33 79.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.12 -2.95 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 82' ' ' CYS . 93.5 t -113.04 -58.79 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.066 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -77.99 56.02 1.53 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.12 24.98 4.67 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 -30.25 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 0.755 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -127.61 151.27 49.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -98.42 29.21 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.74 -61.65 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.806 ' HD2' HD11 ' A' ' 97' ' ' LEU . 4.6 ttmm -62.6 -23.85 67.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.455 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.47 -17.14 7.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.76 15.99 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -129.96 -43.65 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.102 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.066 HD12 ' HB2' ' A' ' 87' ' ' ALA . 11.1 mt -80.27 -46.51 16.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.6 p -107.04 3.02 25.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.379 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.43 154.77 25.02 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 111.051 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.832 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 54.7 m -98.71 -44.38 6.44 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.8 tptp -118.95 133.97 55.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 86.49 -8.32 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.7 t -65.91 158.77 27.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.968 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.1 OUTLIER -60.68 -41.31 94.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.405 ' HA ' HG13 ' A' ' 18' ' ' VAL . 34.8 m -67.81 -60.17 2.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 108.302 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -101.58 62.73 0.94 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.72 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.999 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.644 HMC2 ' OD2' ' A' ' 42' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.049 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.835 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.45 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 122.092 0.948 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 37.3 Cg_endo -82.07 155.42 17.27 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.31 3.34 . . . . 0.0 109.582 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -83.75 153.05 24.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -42.32 135.35 2.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.93 176.89 9.45 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.289 3.326 . . . . 0.0 109.567 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.92 147.94 25.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.24 166.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.75 17.83 6.3 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD11 HAD2 ' A' ' 108' ' ' HEC . 0.1 OUTLIER -103.35 120.88 41.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.967 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.97 139.79 47.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.532 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 1.6 mtp -105.55 119.57 39.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.2 OUTLIER -147.7 58.64 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.61 -33.01 25.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.53 HG23 ' O1D' ' A' ' 111' ' ' HEC . 4.0 p -93.26 -156.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.415 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 28.0 mtmt -91.04 22.89 3.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.421 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -149.03 104.87 3.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 0.0 110.331 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 83.5 Cg_endo -80.72 130.64 7.8 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.325 3.35 . . . . 0.0 109.548 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -134.12 117.87 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.967 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -83.61 149.24 4.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -154.33 116.98 4.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.69 131.54 46.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.271 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -59.72 -31.47 69.64 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.757 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.4 p -56.51 -41.05 76.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.0 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.3 p -81.01 1.26 32.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.393 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -147.3 49.76 1.1 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.776 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.42 -11.49 17.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 31.43 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.2 t -136.83 134.49 48.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.419 1.074 . . . . 0.0 109.299 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.03 129.42 30.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -54.45 -25.6 26.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 108.245 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.01 -3.2 67.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -82.27 -32.15 29.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 0.742 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.606 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -108.73 -45.55 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 108.33 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -93.92 75.36 4.18 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.781 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.581 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.8 p80 -69.74 159.1 85.26 Favored Pre-proline 0 CA--C 1.539 0.553 0 O-C-N 124.131 0.894 . . . . 0.0 109.762 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.3 Cg_exo -65.88 128.69 20.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.322 3.348 . . . . 0.0 109.589 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.098 HG11 HBC2 ' A' ' 109' ' ' HEC . 2.9 t -129.71 119.16 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 109.323 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.6 m120 62.52 41.52 9.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.83 56.54 20.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp 176.46 103.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.486 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.1 mt-10 -31.87 129.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -113.43 139.1 49.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.07 20.69 4.9 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.814 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.4 mtt180 -88.82 171.1 10.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' O ' HMC3 ' A' ' 109' ' ' HEC . 16.6 mttt -39.77 123.95 1.64 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 31.5 m -43.27 -41.65 4.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 108.324 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.17 -94.18 0.68 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.496 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 56.46 149.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 0.779 . . . . 0.0 110.403 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.15 119.86 13.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.92 -11.1 8.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.455 1.097 . . . . 0.0 111.043 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.6 m -133.27 -138.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.971 ' CE1' HG11 ' A' ' 68' ' ' VAL . 70.5 m-70 -60.58 87.38 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.781 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -104.42 -17.61 14.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.1 t -61.53 124.64 21.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 13.1 mtt -141.81 63.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -137.46 -172.1 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -118.46 90.26 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 4.2 mttt 170.08 -73.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -57.31 126.65 28.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 30.7 mtmt -117.19 9.96 13.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.3 m -58.89 169.15 1.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.013 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.505 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.24 -31.62 44.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -30.83 71.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.03 116.11 3.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.542 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.4 t80 -69.81 -41.17 75.36 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 114.997 -0.601 . . . . 0.0 109.838 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.788 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.6 OUTLIER -85.3 -2.81 58.47 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 118.893 -0.575 . . . . 0.0 109.847 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.563 ' CE1' HG22 ' A' ' 74' ' ' THR . 14.8 t60 -96.08 -11.32 26.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.63 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.971 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -105.77 16.08 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.542 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.38 30.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.788 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 77.8 m80 -155.38 -75.08 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.79 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -44.68 155.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.42 -8.89 11.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -94.18 50.95 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.563 HG22 ' CE1' ' A' ' 67' ' ' HIS . 22.9 p -118.45 165.4 13.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.416 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -41.02 95.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.12 169.0 9.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 111.033 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -74.2 158.62 33.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.675 ' O ' HMC3 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -120.22 -154.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 109.985 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.447 ' HB3' HBC2 ' A' ' 111' ' ' HEC . 72.8 m -95.78 -52.33 4.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 108.286 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.045 ' O ' HG23 ' A' ' 84' ' ' VAL . 83.7 t -72.92 -28.96 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.22 -73.33 0.45 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.583 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.5 t -43.4 -49.34 7.09 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -55.31 -37.65 67.65 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.774 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.045 HG23 ' O ' ' A' ' 80' ' ' VAL . 58.1 t -70.41 -39.68 76.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.74 -13.4 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 82' ' ' CYS . 77.9 t -98.99 -54.65 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.593 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -85.59 166.47 16.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.72 -36.98 2.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.94 -24.29 67.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -123.98 150.99 44.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.7 27.26 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -117.27 -70.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -55.21 -29.14 57.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -74.13 -8.27 55.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -115.14 15.76 17.04 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HB3' ' CE ' ' A' ' 104' ' ' LYS . 43.0 m-20 -136.67 -46.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.606 ' O ' HMC1 ' A' ' 111' ' ' HEC . 17.2 mt -70.65 -43.28 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 76.3 p -100.74 -4.97 27.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 110.364 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -66.36 159.3 47.82 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.136 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.94 -75.58 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.81 122.02 17.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt 60.75 41.46 14.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -105.63 -172.74 2.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.733 ' O ' HMA3 ' A' ' 110' ' ' HEC . 53.8 mmtt -91.37 30.74 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 104' ' ' LYS . 96.4 m -152.19 -62.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 108.264 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -99.44 59.03 1.1 Allowed 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.797 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.015 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.098 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.041 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.606 HMC1 ' O ' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.561 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 122.045 0.926 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.561 ' HD3' ' N ' ' A' ' 1' ' ' ALA . 39.3 Cg_endo -83.67 -161.81 0.15 Allowed 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.329 3.353 . . . . 0.0 109.574 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 4' ' ' ALA . 8.2 mtpm? -110.71 154.6 23.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -39.6 127.02 1.46 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.297 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -76.28 177.73 8.4 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 0.0 109.587 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.69 145.38 25.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.23 168.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.91 21.28 5.01 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.561 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -103.99 130.79 51.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.651 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -139.82 137.43 34.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.556 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.5 mtp -105.95 115.01 29.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 7.1 pt-20 -144.24 55.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.56 -29.91 29.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.434 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.5 p -97.03 -157.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.377 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 20.8 mttt -90.79 22.51 3.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -149.03 104.14 3.37 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.492 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.8 Cg_endo -80.61 132.43 8.86 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.37 3.38 . . . . 0.0 109.586 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -137.13 120.39 21.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.651 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.67 149.89 3.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.4 OUTLIER -155.13 115.53 3.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.982 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.37 131.82 44.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -59.61 -23.08 62.68 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.798 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.4 p -65.44 -36.29 83.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.962 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -83.99 -0.72 52.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 110.398 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m80 -146.17 48.83 1.2 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.778 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.9 1.6 29.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.22 28.12 8.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 t -135.47 138.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.54 130.22 42.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.1 m -55.01 -26.78 39.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.305 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.51 -3.07 57.27 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.975 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -83.01 -35.82 25.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.712 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -104.51 -44.41 4.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 108.28 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -95.96 77.42 3.16 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.788 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.811 ' CE1' HG22 ' A' ' 37' ' ' VAL . 8.4 p80 -70.38 154.79 94.24 Favored Pre-proline 0 CA--C 1.54 0.564 0 O-C-N 124.12 0.888 . . . . 0.0 109.805 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.41 120.18 5.83 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.326 3.351 . . . . 0.0 109.608 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.811 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -119.12 145.47 25.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 47.61 25.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.99 60.15 6.32 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.1 tttp 176.69 102.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' LYS . 31.5 mt-10 -35.26 123.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 40' ' ' LYS . 3.3 m-20 -112.48 133.48 54.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -124.55 20.54 8.66 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.824 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -86.49 170.37 11.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.321 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 46' ' ' CYS . 25.8 mttp -40.29 119.55 1.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' LYS . 64.2 m -41.18 -39.57 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.144 . . . . 0.0 108.291 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.84 -92.61 0.61 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 54.87 150.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 0.729 . . . . 0.0 110.394 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.23 120.26 16.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.05 -15.78 8.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.413 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 9.5 m -125.99 -136.58 0.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.027 ' CE1' HG11 ' A' ' 68' ' ' VAL . 75.5 m-70 -61.71 88.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.77 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -105.37 -16.66 14.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.373 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -62.73 123.65 18.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.005 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 16.2 mtt -140.73 62.62 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -130.35 -166.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -124.43 89.18 3.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 14.8 mtpt 165.61 -74.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -48.52 130.13 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.36 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 0.3 OUTLIER -120.89 11.63 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.258 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 t -59.32 169.24 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.84 -29.03 59.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -64.84 -32.9 74.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 109.246 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.8 115.79 1.81 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.18 -43.32 74.44 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.007 -0.597 . . . . 0.0 109.793 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.796 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.6 t80 -84.38 -0.91 54.45 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.875 -0.583 . . . . 0.0 109.812 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.0 t60 -97.29 -11.45 24.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.596 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.027 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.07 14.67 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.541 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.0 30.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.796 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.1 m80 -156.95 -73.05 0.1 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.752 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -45.41 151.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.289 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.63 -17.47 13.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -86.58 48.77 1.68 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.518 HG22 ' O1A' ' A' ' 109' ' ' HEC . 21.3 p -116.9 165.47 13.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.393 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.17 -40.38 93.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -114.07 160.72 18.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.024 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -67.01 158.09 31.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.723 ' O ' HMC3 ' A' ' 110' ' ' HEC . 10.0 p -116.39 -149.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.5 m -104.9 -41.25 5.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 108.281 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.04 ' O ' HG23 ' A' ' 84' ' ' VAL . 73.7 t -80.47 -30.4 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.32 -72.01 0.65 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.543 1.152 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.795 ' O ' HG23 ' A' ' 86' ' ' VAL . 11.4 t -43.55 -47.84 7.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.63 -37.24 70.47 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.731 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.7 t -70.63 -40.58 77.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.09 -4.91 41.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.327 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 82' ' ' CYS . 76.8 t -105.15 -57.41 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.834 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -77.63 165.69 23.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.6 -36.97 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.93 -24.54 58.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 93' ' ' LYS . 26.9 t0 -120.95 134.42 55.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -68.91 -64.18 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.99 -50.24 5.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HG2' ' CD1' ' A' ' 97' ' ' LEU . 7.9 ttmm -56.92 -37.84 72.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -76.42 -1.43 26.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.29 1.19 11.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -116.81 -31.51 5.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.834 HD12 ' HB2' ' A' ' 87' ' ' ALA . 35.8 mt -90.84 -43.5 10.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -107.79 1.39 22.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.02 159.1 4.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.803 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 36.8 m -104.86 -42.76 5.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 26.5 tptt -125.63 127.83 46.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 90.62 7.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 48.0 t -84.21 160.11 20.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.983 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -57.41 -39.34 75.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.259 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 37.9 m -70.68 -64.32 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -97.78 60.79 1.54 Allowed 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.775 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.995 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.712 HBB2 ' O ' ' A' ' 33' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.035 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.803 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 122.108 0.956 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.439 ' O ' HMB2 ' A' ' 108' ' ' HEC . 38.6 Cg_endo -85.21 62.9 5.97 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.338 3.359 . . . . 0.0 109.585 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -40.35 135.23 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.62 143.52 75.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -78.29 177.43 8.77 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -85.31 147.92 26.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.16 168.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.78 15.05 7.0 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.586 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -101.12 123.34 45.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.303 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.866 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -135.55 142.43 45.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.431 1.082 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.483 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.4 mtp -109.63 120.86 43.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.0 OUTLIER -148.83 59.04 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.39 -24.61 29.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.586 HG23 ' O1D' ' A' ' 111' ' ' HEC . 2.7 p -101.66 -156.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.395 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 5.2 mttt -91.81 27.31 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.545 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.2 OUTLIER -155.78 104.79 2.14 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.488 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 97.7 Cg_endo -78.96 134.2 11.66 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.29 3.327 . . . . 0.0 109.629 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.6 t -135.67 112.43 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.866 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -80.78 150.75 4.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.61 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.85 116.74 3.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -99.85 131.6 45.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.33 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -58.81 -27.49 65.11 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.828 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.6 p -60.5 -39.82 89.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.0 p -80.97 0.79 33.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -146.71 49.44 1.14 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.775 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -106.03 2.84 27.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -111.61 29.6 7.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.994 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.3 t -136.26 137.41 48.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.87 127.16 24.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.251 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.94 -25.18 19.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 108.301 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.0 -3.77 65.45 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.442 1.089 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -82.12 -36.18 27.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -103.84 -43.03 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 108.261 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -97.05 78.07 2.77 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.052 -0.976 . . . . 0.0 109.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.8 p80 -68.86 154.66 94.62 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.156 0.91 . . . . 0.0 109.781 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -75.87 120.91 5.97 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.345 3.363 . . . . 0.0 109.609 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.548 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -114.68 147.27 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 39.97 33.2 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 61.98 58.59 12.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.5 ttmt -178.1 102.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.7 mt-10 -34.91 124.94 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' OD1' HG23 ' A' ' 37' ' ' VAL . 0.9 OUTLIER -109.92 136.42 49.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -132.14 22.86 4.49 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.806 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 4.4 mtt180 -95.0 173.15 7.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.624 ' O ' HMC3 ' A' ' 109' ' ' HEC . 0.7 OUTLIER -37.63 136.74 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.7 m -61.65 -44.7 96.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 108.262 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.47 -85.02 0.29 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.17 167.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 0.766 . . . . 0.0 110.386 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.76 121.83 31.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.52 -24.4 9.75 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.7 m -108.34 -137.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.051 ' CE1' HG11 ' A' ' 68' ' ' VAL . 68.0 m-70 -63.08 78.13 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.77 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -106.29 23.97 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 t -110.81 121.29 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.03 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 3.2 mtt -127.46 56.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 111.061 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -107.78 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.354 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 2.6 tttp -116.06 82.99 1.87 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 6.8 mttt 165.48 -74.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -39.61 128.06 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.579 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.1 mtmp? -112.91 23.11 13.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.9 m -72.95 159.17 34.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.572 ' CB ' ' CBD' ' A' ' 109' ' ' HEC . . . -52.78 -32.32 43.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.29 -26.08 68.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -55.01 117.35 8.06 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.555 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.2 t80 -66.11 -50.86 62.57 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.978 -0.611 . . . . 0.0 109.821 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.803 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.4 t80 -77.82 0.0 25.51 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 118.917 -0.563 . . . . 0.0 109.848 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.579 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 18.6 t60 -98.77 -10.43 23.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.051 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.9 m -108.98 16.01 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.555 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.47 29.11 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.803 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.9 m80 -156.06 -72.04 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.749 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.39 149.72 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.492 ' CD ' ' N ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -110.5 -15.83 13.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -87.21 47.22 1.47 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.48 HG22 ' O1A' ' A' ' 109' ' ' HEC . 20.9 p -115.8 166.25 12.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -41.16 96.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.464 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 11.0 m-85 -110.9 165.5 11.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -71.21 157.75 37.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.867 ' O ' HMC3 ' A' ' 110' ' ' HEC . 5.6 p -115.72 -155.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 48.8 m -105.95 -37.37 6.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 108.285 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.933 ' O ' HG23 ' A' ' 84' ' ' VAL . 67.1 t -88.07 -7.96 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -83.93 -70.86 1.33 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 1.04 ' O ' HG23 ' A' ' 86' ' ' VAL . 52.6 t -45.9 -38.2 7.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.45 -37.1 79.89 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.761 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 80' ' ' VAL . 64.4 t -72.67 -32.69 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.32 -4.94 58.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.04 HG23 ' O ' ' A' ' 82' ' ' CYS . 71.7 t -92.12 -57.44 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.67 172.84 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 178.37 -50.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -116.36 -32.05 5.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 109.334 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -76.74 83.18 3.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -52.93 -48.99 66.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.91 -49.29 11.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.341 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 5.4 mtpp -59.49 -32.56 70.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -72.65 -5.13 35.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -122.39 -1.16 9.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -117.71 -30.25 5.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.604 ' O ' HMC1 ' A' ' 111' ' ' HEC . 1.6 mt -90.31 -42.55 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 71.3 p -105.45 -1.72 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.416 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.17 156.23 1.6 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.769 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 29.6 m -103.4 -42.68 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.521 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.4 tppt? -127.0 129.83 48.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.521 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 10.0 ttpt 90.32 -1.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.462 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 43.5 t -75.98 158.94 31.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.954 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -54.7 -36.62 64.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 38.7 m -74.89 -61.22 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 108.365 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -103.96 64.58 0.79 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.731 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.043 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.624 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.032 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.78 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.674 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 122.089 0.947 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.674 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 47.6 Cg_endo -91.87 110.86 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.303 3.335 . . . . 0.0 109.593 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -51.02 -179.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.61 143.69 27.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -74.51 177.58 8.2 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.321 3.347 . . . . 0.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -88.6 150.02 23.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.3 m-20 -44.49 167.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.47 10.33 7.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.14 . . . . 0.0 111.067 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.431 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -99.03 120.58 39.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.853 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.79 139.13 46.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.26 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.484 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -105.8 116.38 31.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -144.13 55.38 1.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.96 -22.89 39.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.578 HG23 ' O1D' ' A' ' 111' ' ' HEC . 2.2 p -103.97 -157.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.432 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.432 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 13.4 mtmt -91.14 29.09 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.54 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.2 OUTLIER -157.23 104.35 1.87 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.299 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 95.8 Cg_endo -78.7 129.51 9.21 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.303 3.335 . . . . 0.0 109.622 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.32 112.07 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.853 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -80.92 149.82 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.576 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -153.03 116.29 4.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 111.033 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.11 129.18 46.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.426 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 25.7 m80 -58.99 -19.7 46.0 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.749 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -64.89 -43.98 91.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.2 p -77.62 -2.4 35.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.368 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -142.5 47.35 1.58 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.718 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -105.79 3.7 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.29 31.05 6.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.969 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.5 t -136.12 144.13 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -58.46 126.12 26.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -55.06 -24.16 23.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 108.257 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.81 -2.3 64.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -83.65 -37.78 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.537 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.2 m -100.99 -45.61 5.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 108.276 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -94.36 77.11 3.92 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.763 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.761 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.2 p80 -68.86 154.66 94.63 Favored Pre-proline 0 CA--C 1.539 0.537 0 O-C-N 124.199 0.937 . . . . 0.0 109.775 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.83 118.2 5.21 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.316 3.344 . . . . 0.0 109.633 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.761 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.4 t -114.68 147.51 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 43.14 28.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.411 1.069 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.427 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.94 58.5 9.69 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.2 tttp -179.81 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 0.768 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.8 mt-10 -34.84 124.08 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -110.76 138.62 46.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -130.08 13.64 5.7 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.854 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.57 176.89 9.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.239 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' O ' HMC3 ' A' ' 109' ' ' HEC . 10.1 mttm -46.74 133.49 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.8 m -64.2 -27.41 69.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 108.288 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -116.63 49.17 0.87 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.81 148.23 22.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.756 . . . . 0.0 110.415 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 130.19 14.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.402 ' O ' ' SG ' ' A' ' 51' ' ' CYS . . . 97.46 14.44 41.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 50' ' ' GLY . 24.0 m -150.98 -133.36 0.05 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.951 ' CE1' HG11 ' A' ' 68' ' ' VAL . 80.9 m-70 -69.52 91.5 0.58 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.793 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.39 17.89 18.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -91.26 115.13 27.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.73 59.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -139.47 -167.49 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -121.69 89.01 3.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.408 1.068 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 7.0 mttt 170.23 -74.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.1 t70 -40.37 130.99 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.29 3.68 7.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.04 178.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.009 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.519 ' CB ' ' O1A' ' A' ' 109' ' ' HEC . . . -62.09 -14.7 39.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -70.81 -35.5 72.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -40.58 121.97 1.98 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.105 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.55 ' O ' ' CG ' ' A' ' 69' ' ' MET . 6.2 t80 -78.71 -41.49 30.85 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.991 -0.605 . . . . 0.0 109.834 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.742 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -85.91 -5.5 59.22 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 118.871 -0.585 . . . . 0.0 109.824 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -94.0 -10.75 32.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.559 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.951 HG11 ' CE1' ' A' ' 52' ' ' HIS . 20.9 m -105.83 16.13 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.55 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.46 34.57 0.41 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 110.977 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.742 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.3 m80 -156.54 -63.58 0.1 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.769 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB3' HG23 ' A' ' 74' ' ' THR . 0.4 OUTLIER -55.7 170.69 0.25 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 74' ' ' THR . 4.8 pttt -126.94 -44.35 1.63 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.4 OUTLIER -45.45 -26.11 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.285 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.579 HG23 ' HB3' ' A' ' 71' ' ' ASP . 20.8 p -40.91 162.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -37.3 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -114.54 165.68 12.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -71.09 158.14 36.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.239 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.757 ' O ' HMC3 ' A' ' 110' ' ' HEC . 52.6 p -113.83 -149.41 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.957 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 69.8 m -106.06 -37.26 6.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.061 ' O ' HG23 ' A' ' 84' ' ' VAL . 91.2 t -82.16 -34.1 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -54.65 -71.07 0.77 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.547 1.155 . . . . 0.0 110.998 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.625 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.9 t -43.95 -47.74 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.36 -35.98 70.62 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.801 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.061 HG23 ' O ' ' A' ' 80' ' ' VAL . 82.6 t -70.29 -35.86 64.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.45 -11.22 59.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 82' ' ' CYS . 90.8 t -104.71 -56.85 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.056 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -78.19 55.78 1.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -128.85 25.64 4.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -115.28 -32.92 5.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 0.764 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -126.63 148.73 49.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.26 24.35 3.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -108.5 -66.37 1.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -26.4 52.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.93 -17.9 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.11 17.2 24.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.42 -43.71 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.056 HD12 ' HB2' ' A' ' 87' ' ' ALA . 13.6 mt -79.78 -45.58 18.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.8 p -108.02 1.87 22.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.02 150.86 45.68 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.587 1.179 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.84 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 73.6 m -93.39 -47.32 6.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.15 136.39 50.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.9 tttp 81.03 -3.25 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 24.4 t -70.53 153.72 42.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.957 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -57.95 -41.91 83.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.3 m -68.06 -59.26 3.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.429 ' CE1' ' OE1' ' A' ' 16' ' ' GLN . 91.8 m-70 -105.96 64.61 0.68 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.766 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.483 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 110.329 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.007 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.591 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.054 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.84 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 122.079 0.942 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.73 130.76 12.7 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.352 3.368 . . . . 0.0 109.583 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.796 ' O ' HMB2 ' A' ' 108' ' ' HEC . 0.0 OUTLIER -70.38 -168.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 109.302 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -112.85 90.5 15.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 64.5 Cg_exo -40.08 161.78 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.287 3.325 . . . . 0.0 109.637 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.48 146.95 46.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.272 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.29 167.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.04 29.46 2.17 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -113.94 121.81 45.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.954 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.76 144.79 51.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 1.7 mtp -111.59 118.11 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.8 OUTLIER -146.51 57.62 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.274 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.28 -36.19 30.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.596 HG23 ' O2D' ' A' ' 111' ' ' HEC . 2.6 p -91.99 -157.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 20.5 mtpt -90.5 30.05 1.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.16 103.89 2.25 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 96.8 Cg_endo -80.46 130.12 7.81 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.31 3.34 . . . . 0.0 109.604 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.7 t -135.23 115.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 109.239 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.954 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -84.14 146.85 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -147.37 116.53 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -95.55 133.31 39.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -65.22 -28.7 69.55 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.767 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.3 p -62.72 -37.67 87.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.5 p -82.05 2.19 32.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.41 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -147.33 48.84 1.11 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.776 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 -11.21 17.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 p -93.76 23.9 4.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.978 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.58 137.04 55.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.63 132.17 51.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.2 m -54.73 -25.25 26.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 108.32 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.74 -2.32 60.59 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.442 1.089 . . . . 0.0 110.968 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.423 ' OD2' ' CBC' ' A' ' 110' ' ' HEC . 9.7 t70 -83.34 -33.94 25.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 0.731 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.678 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -107.68 -44.41 4.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -94.33 81.66 4.02 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.757 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.535 ' CE1' HG22 ' A' ' 37' ' ' VAL . 8.8 p80 -80.39 157.44 72.78 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.192 0.933 . . . . 0.0 109.74 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.5 Cg_exo -65.63 136.05 44.5 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.336 3.358 . . . . 0.0 109.573 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.955 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.4 t -135.8 -76.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.62 66.25 2.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.66 29.5 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.83 135.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 0.736 . . . . 0.0 109.277 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.9 mt-10 -35.74 119.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.505 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -100.22 144.22 29.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 9.4 m-85 -131.66 24.44 4.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.832 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -91.11 168.92 11.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 110.271 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.54 ' O ' HMC3 ' A' ' 109' ' ' HEC . 31.2 mttt -39.27 130.53 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 44.9 m -49.89 -41.42 45.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.107 . . . . 0.0 108.268 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.524 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.61 -93.14 0.58 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.524 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.17 150.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 110.409 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.92 119.95 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.88 -9.83 9.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.493 1.12 . . . . 0.0 110.98 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.3 m -133.52 -139.21 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.835 ' CE1' HG11 ' A' ' 68' ' ' VAL . 63.1 m-70 -61.3 76.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.766 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.9 p-10 -106.52 23.38 14.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 t -109.0 124.49 50.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.165 . . . . 0.0 109.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.537 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.1 mtt -128.82 57.19 1.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -121.56 -166.43 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.543 ' HE2' ' CD1' ' A' ' 66' ' ' TYR . 3.4 tptp -143.57 97.81 3.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 13.7 tttm 164.39 -41.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -87.75 118.66 27.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.73 48.43 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.412 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 6.5 t -95.59 178.94 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -74.65 -5.51 43.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -91.41 -4.33 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.434 1.083 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -75.76 121.81 6.45 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.507 1.129 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.601 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -70.97 -52.76 17.88 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 114.984 -0.608 . . . . 0.0 109.846 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.812 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 5.6 t80 -77.66 0.89 21.58 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 118.931 -0.557 . . . . 0.0 109.894 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.452 ' ND1' ' OD2' ' A' ' 71' ' ' ASP . 15.2 t60 -99.76 -9.32 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.835 HG11 ' CE1' ' A' ' 52' ' ' HIS . 28.5 m -111.57 16.33 8.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.601 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.44 26.91 0.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.812 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -154.6 -70.44 0.13 Allowed 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.787 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.452 ' OD2' ' ND1' ' A' ' 67' ' ' HIS . 2.6 m-20 -45.88 152.99 0.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.292 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -118.0 -4.38 11.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -97.2 49.34 1.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 25.0 p -119.82 164.43 16.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.4 tttt -62.88 -39.64 95.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -109.66 159.47 17.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 159.73 32.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.742 ' O ' HMC3 ' A' ' 110' ' ' HEC . 0.7 OUTLIER -119.97 -148.22 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.965 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 75.8 m -102.7 -49.72 3.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 108.28 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.05 ' O ' HG23 ' A' ' 84' ' ' VAL . 82.7 t -75.34 -28.11 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -58.06 -72.18 0.64 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.878 ' O ' HG23 ' A' ' 86' ' ' VAL . 14.9 t -43.66 -48.91 7.85 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -54.45 -37.11 64.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.744 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.05 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.0 t -73.06 -34.33 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.74 -4.13 57.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 82' ' ' CYS . 55.8 t -90.52 -52.6 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 86' ' ' VAL . . . -45.33 169.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -142.46 -61.35 0.03 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -161.49 28.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -99.32 126.8 45.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -89.8 23.72 2.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.086 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.63 -55.59 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -64.25 -28.84 70.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -78.22 -1.15 31.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -123.68 -1.29 8.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.301 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.465 ' C ' HD23 ' A' ' 97' ' ' LEU . 5.9 m-20 -117.48 -27.54 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.588 ' O ' HMC1 ' A' ' 111' ' ' HEC . 2.8 mt -94.17 -42.41 8.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.0 p -106.09 -0.69 24.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.395 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.71 155.97 3.82 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.754 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 41.3 m -101.28 -42.7 6.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 1.1 tptp -125.76 133.83 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.2 OUTLIER 87.73 -6.64 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 47.7 t -70.42 158.51 35.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.998 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.96 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.3 OUTLIER -56.15 -36.41 68.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.0 m -72.8 -65.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 108.288 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -98.93 60.96 1.25 Allowed 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.766 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.99 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.955 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.036 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.754 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 122.048 0.928 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -70.83 -19.27 31.23 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.314 3.343 . . . . 0.0 109.602 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.4 mttm 62.46 137.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.12 121.3 23.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.3 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.49 177.57 8.5 Favored 'Trans proline' 0 N--CA 1.446 -1.273 0 C-N-CA 124.294 3.33 . . . . 0.0 109.623 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -86.89 144.84 26.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.46 43.03 0.05 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.76 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -131.55 132.45 44.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 109.339 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.72 134.64 43.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.47 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.4 OUTLIER -108.23 82.46 1.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.5 pt-20 -118.22 38.47 3.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.9 -18.23 64.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 p -110.97 -158.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 1.3 mtmt -91.99 27.32 2.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.588 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 1.4 mp0 -150.0 89.18 4.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 16.0 Cg_exo -68.2 115.58 3.91 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.326 3.351 . . . . 0.0 109.599 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.0 t -131.72 114.25 24.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -88.52 146.93 5.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.76 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -141.92 116.55 9.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -92.14 139.36 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -66.92 -32.86 74.39 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.761 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.3 p -56.08 -38.67 70.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.5 p -80.9 -1.32 42.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.389 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.523 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 70.5 m80 -149.52 50.59 0.94 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.766 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.54 -16.31 15.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -91.21 32.72 1.01 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.2 t -138.78 138.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.35 136.46 56.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -58.49 -24.99 61.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 108.31 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.2 -4.62 68.95 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -82.51 -32.78 28.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 0.768 . . . . 0.0 109.248 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.431 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.2 m -108.29 -49.13 3.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 108.255 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -90.42 77.23 6.58 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.765 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.592 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.8 p80 -68.94 158.94 84.91 Favored Pre-proline 0 CA--C 1.539 0.555 0 O-C-N 124.199 0.937 . . . . 0.0 109.763 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.9 Cg_exo -64.01 129.95 26.01 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.273 3.316 . . . . 0.0 109.64 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.008 HG11 HBC2 ' A' ' 109' ' ' HEC . 4.4 t -132.4 111.46 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 71.55 40.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.89 44.68 71.55 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -171.28 103.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 0.781 . . . . 0.0 109.291 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 40' ' ' LYS . 38.5 mt-10 -33.34 127.59 0.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.341 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -115.59 147.23 40.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.95 20.72 3.81 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.821 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.4 OUTLIER -83.42 168.13 16.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.469 ' O ' HMC3 ' A' ' 109' ' ' HEC . 10.9 mttt -39.58 126.13 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -43.27 -43.03 4.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.261 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.516 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -83.74 -94.32 0.64 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.56 150.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.408 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.41 122.8 18.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.82 -6.74 13.54 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 m -138.73 -140.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.992 ' CE1' HG11 ' A' ' 68' ' ' VAL . 58.0 m-70 -60.24 81.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.778 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -113.49 26.39 10.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 t -103.61 121.03 42.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.4 mtt -132.97 58.54 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -126.31 171.43 10.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 35.0 tttm -110.23 79.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 3.4 mmtm 163.82 -77.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' LYS . 3.3 t0 -39.78 119.78 1.03 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.51 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.7 OUTLIER -97.01 -141.96 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.9 OUTLIER 86.83 173.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.482 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -71.25 -15.09 62.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt -65.02 -33.69 76.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.24 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -45.75 123.3 6.34 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.615 ' CE2' ' O1D' ' A' ' 111' ' ' HEC . 2.4 t80 -71.82 -49.39 38.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.017 -0.591 . . . . 0.0 109.79 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.545 ' CD1' ' C ' ' A' ' 66' ' ' TYR . 2.1 p90 -78.76 -8.9 59.19 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.899 -0.572 . . . . 0.0 109.821 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.444 ' O ' HG21 ' A' ' 74' ' ' THR . 14.0 t60 -89.04 -8.82 53.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.992 HG11 ' CE1' ' A' ' 52' ' ' HIS . 29.3 m -111.2 21.41 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.113 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.12 28.12 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.54 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 79.3 m80 -147.71 -74.57 0.19 Allowed 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.795 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' HB3' HG23 ' A' ' 74' ' ' THR . 42.5 t0 -54.42 158.6 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 pttm -112.83 -34.32 5.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -47.61 -26.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 67' ' ' HIS . 22.1 p -44.12 165.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -39.7 94.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -110.15 169.3 8.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -71.53 158.42 36.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.523 ' O ' HMC3 ' A' ' 110' ' ' HEC . 64.2 p -118.95 -174.03 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.2 m -79.28 -41.45 28.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 108.322 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.054 ' O ' HG23 ' A' ' 84' ' ' VAL . 65.2 t -79.32 -36.15 17.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -50.57 -70.24 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 0.0 110.982 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.7 t -44.87 -49.56 10.83 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 87' ' ' ALA . 12.4 m170 -57.6 -33.95 68.75 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.803 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 80' ' ' VAL . 88.0 t -70.84 -33.52 52.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -84.88 -3.73 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.1 t -113.36 -58.81 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.033 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -70.13 61.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.83 21.08 4.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.536 1.147 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.57 -27.87 7.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 93' ' ' LYS . 10.6 t70 -123.88 162.12 23.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -86.48 -69.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' O ' ' N ' ' A' ' 95' ' ' LYS . . . -44.29 -47.24 9.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' CB ' ' HB3' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -53.56 -35.05 60.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.5 -1.47 18.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 92' ' ' ALA . 0.1 OUTLIER -117.57 3.67 12.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.73 -28.02 6.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.033 HD12 ' HB2' ' A' ' 87' ' ' ALA . 25.1 mt -96.64 -44.37 7.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.488 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 69.1 p -107.4 2.83 24.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.379 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -69.19 154.04 53.05 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.554 1.159 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.711 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 84.6 m -91.47 -47.6 7.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.2 144.61 35.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 70.31 7.55 6.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.3 t -80.06 150.77 30.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.979 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.962 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.7 OUTLIER -54.76 -43.92 73.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 20.5 m -67.24 -59.71 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 108.298 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.588 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 98.8 m-70 -101.5 62.04 0.93 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.776 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.006 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.008 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.991 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.939 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.504 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 122.097 0.951 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.872 ' HG2' HMB3 ' A' ' 108' ' ' HEC . 34.9 Cg_endo -83.62 149.88 12.9 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.363 3.375 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.676 ' O ' HMB2 ' A' ' 108' ' ' HEC . 3.9 mtmm -81.75 165.42 20.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -113.31 87.63 11.48 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 88.1 Cg_exo -41.0 163.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.327 3.352 . . . . 0.0 109.586 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.2 146.38 29.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.91 167.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.52 18.18 5.82 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.664 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -108.39 126.38 52.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.95 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.9 140.96 47.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.529 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.6 mtp -103.22 120.66 41.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -148.55 58.9 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.259 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.76 -35.57 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.585 HG23 ' O2D' ' A' ' 111' ' ' HEC . 2.7 p -93.02 -156.94 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 1.082 . . . . 0.0 110.42 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 1.2 mtpt -91.13 28.6 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -153.56 103.52 2.54 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.322 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 87.3 Cg_endo -81.07 131.1 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.309 3.339 . . . . 0.0 109.609 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG13 ' HA ' ' A' ' 105' ' ' CYS . 71.4 t -136.07 118.48 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.95 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -81.97 150.39 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.693 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -152.44 117.5 5.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -103.0 131.27 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -60.61 -29.5 69.26 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.754 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.4 p -57.2 -44.0 83.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.984 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 57.5 p -75.94 -4.04 38.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -143.11 47.68 1.51 Allowed 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.784 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -104.58 2.1 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 29.79 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.078 . . . . 0.0 110.009 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.0 t -135.05 140.63 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.08 127.81 32.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -54.6 -24.66 22.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.76 -3.74 68.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -82.07 -34.89 29.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.453 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -105.85 -44.24 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -94.93 78.09 3.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.787 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.587 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.2 p80 -69.59 154.82 94.47 Favored Pre-proline 0 CA--C 1.539 0.539 0 O-C-N 124.146 0.903 . . . . 0.0 109.777 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -75.91 121.68 6.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.32 3.347 . . . . 0.0 109.633 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.587 HG22 ' CE1' ' A' ' 35' ' ' HIS . 0.8 OUTLIER -115.22 148.23 18.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 41.19 29.46 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.64 60.8 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER 178.58 104.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 0.735 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.6 mt-10 -33.16 123.85 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' OD1' HMC2 ' A' ' 109' ' ' HEC . 9.8 t70 -107.6 134.63 50.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 2' ' ' PRO . 10.7 m-85 -131.39 19.38 4.81 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.845 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 45' ' ' LYS . 46.5 mtm180 -92.8 172.51 8.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.617 ' O ' HMC3 ' A' ' 109' ' ' HEC . 1.0 OUTLIER -37.17 136.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.08 -45.93 92.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.31 -84.47 0.31 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.02 168.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 0.787 . . . . 0.0 110.395 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.58 122.57 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.345 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 115.88 -22.98 11.15 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.7 m -110.76 -138.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.978 ' CE1' HG11 ' A' ' 68' ' ' VAL . 65.3 m-70 -62.26 81.32 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.757 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -112.06 27.29 9.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.6 t -112.47 117.65 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.433 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.0 mtt -125.15 55.94 1.36 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -111.18 172.14 7.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -110.35 80.59 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' ASP . 1.7 mttt 171.44 -76.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 2.1 t0 -40.21 131.26 2.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.599 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 2.6 mtpp -125.35 22.72 7.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.555 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -72.66 -179.4 3.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -69.41 -8.41 46.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.0 -11.79 40.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.81 115.38 5.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.469 1.106 . . . . 0.0 111.005 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.589 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.9 t80 -63.57 -54.88 29.1 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.994 -0.603 . . . . 0.0 109.846 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.81 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.1 t80 -73.17 -1.82 19.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.846 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.599 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 19.0 t60 -97.49 -12.36 22.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.643 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.978 HG11 ' CE1' ' A' ' 52' ' ' HIS . 20.2 m -107.93 18.87 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.589 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -154.15 27.73 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 110.971 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.81 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 78.8 m80 -153.18 -80.41 0.1 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.717 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -41.94 154.14 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -5.48 11.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -90.23 41.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.425 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 19.6 p -114.89 165.98 12.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -39.96 91.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' O ' HMA2 ' A' ' 109' ' ' HEC . 17.7 m-30 -118.28 153.17 34.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -61.71 159.36 13.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 m -115.54 -95.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 86.3 m -153.13 -47.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.259 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.032 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.9 t -72.82 -32.7 41.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.34 -70.23 1.02 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.7 t -44.4 -48.15 9.83 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -57.82 -35.89 71.5 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.012 -0.994 . . . . 0.0 109.772 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 80' ' ' VAL . 69.9 t -71.85 -33.01 46.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' O ' ' CG ' ' A' ' 85' ' ' GLU . 2.0 tt0 -82.87 -8.15 59.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 82' ' ' CYS . 67.0 t -108.99 -57.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.935 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -75.37 57.47 0.91 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -130.21 24.92 4.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.11 -32.09 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 0.781 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -127.34 147.96 50.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -93.22 25.94 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -109.29 -63.1 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.545 ' HZ3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -58.96 -25.84 63.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.366 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.433 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.73 -18.05 7.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.41 18.72 21.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -134.8 -43.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.935 HD12 ' HB2' ' A' ' 87' ' ' ALA . 16.0 mt -78.69 -47.08 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 55.1 p -104.76 -1.27 26.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.47 157.97 2.73 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.025 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.868 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 18.8 m -103.12 -40.45 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.3 pttt -123.06 131.4 53.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.1 OUTLIER 87.42 -6.91 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 107' ' ' GLU . 13.7 t -66.54 151.34 47.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.966 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.977 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.2 OUTLIER -52.41 -42.31 63.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.484 ' HA ' HG13 ' A' ' 18' ' ' VAL . 64.7 m -66.63 -54.64 21.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 108.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -107.92 65.52 0.64 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.771 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.043 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.617 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.989 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.935 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 122.005 0.907 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 1.017 ' HG2' HMB3 ' A' ' 108' ' ' HEC . 43.4 Cg_endo -61.07 -176.11 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.283 3.322 . . . . 0.0 109.627 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -118.26 122.54 43.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -40.49 102.45 0.26 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.707 ' HG2' ' C3A' ' A' ' 108' ' ' HEC . 25.7 Cg_exo -45.16 166.92 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.253 3.302 . . . . 0.0 109.603 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -80.79 128.5 33.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -43.68 165.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 112.96 24.22 4.97 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.129 . . . . 0.0 111.057 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.65 129.75 55.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 0.777 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.862 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.11 132.64 43.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.441 ' CE ' ' O1D' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -95.56 116.9 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 4.6 pt-20 -147.14 56.24 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.293 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.79 -37.25 30.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.562 HG23 ' O1D' ' A' ' 111' ' ' HEC . 2.6 p -90.93 -158.36 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.425 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 7.2 mttp -90.61 30.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -155.61 102.96 2.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 85.8 Cg_endo -81.08 130.14 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.349 3.366 . . . . 0.0 109.576 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.469 HG13 ' HA ' ' A' ' 105' ' ' CYS . 65.8 t -136.34 109.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.862 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -69.83 148.65 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.371 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.884 ' CE2' HBB2 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -155.76 113.05 3.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -105.9 134.7 48.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -60.81 -17.82 51.78 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.755 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.9 p -69.3 -39.2 78.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 70.4 p -74.66 -4.73 39.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -146.69 49.7 1.14 Allowed 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 114.986 -1.006 . . . . 0.0 109.754 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.617 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -99.46 103.9 15.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.244 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.617 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.66 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.444 1.09 . . . . 0.0 110.044 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 32' ' ' ASP . 38.0 t -56.0 133.05 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.7 128.66 18.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 m -53.26 -24.5 11.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 108.319 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.36 -4.12 59.49 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.45 ' HB3' HG12 ' A' ' 28' ' ' VAL . 11.0 t70 -80.53 -31.46 37.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.794 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.407 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -111.82 -52.84 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 108.246 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -84.57 76.16 10.21 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 8.4 p80 -73.77 158.66 85.81 Favored Pre-proline 0 CA--C 1.54 0.581 0 O-C-N 124.185 0.928 . . . . 0.0 109.745 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 19.8 Cg_exo -64.95 134.46 40.08 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.309 3.34 . . . . 0.0 109.59 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.044 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.3 t -133.37 -75.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.02 65.45 6.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.11 29.54 0.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.86 134.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.777 . . . . 0.0 109.285 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.7 mt-10 -36.91 117.12 0.49 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.252 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.43 ' HB2' HG23 ' A' ' 37' ' ' VAL . 0.2 OUTLIER -97.8 147.54 24.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.844 ' CE2' ' HG3' ' A' ' 2' ' ' PRO . 9.7 m-85 -129.02 21.68 5.79 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.862 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER -85.03 163.42 18.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.326 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.597 ' O ' HMC3 ' A' ' 109' ' ' HEC . 9.5 mttm -39.81 133.45 1.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' SG ' ' O1D' ' A' ' 108' ' ' HEC . 23.8 m -48.2 -44.73 33.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.286 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.533 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.54 -93.81 0.56 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.5 OUTLIER 55.05 150.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 110.436 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.71 120.57 14.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 120.95 -6.9 10.99 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -138.44 -139.52 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.972 ' CE1' HG11 ' A' ' 68' ' ' VAL . 62.8 m-70 -60.9 75.4 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.737 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.4 p-10 -109.72 25.1 12.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 29.3 t -103.67 122.23 44.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mtt -132.32 58.89 1.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -121.95 -167.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HA ' ' CE ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -130.11 90.79 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.1 mttt 170.88 -83.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -63.01 126.92 28.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 4.7 pttm -122.11 33.32 5.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.535 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 33.8 t -67.0 -167.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.968 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -70.63 -7.39 43.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 mtpt -90.88 -12.92 34.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.03 121.8 14.73 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.6 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.2 t80 -70.92 -48.7 52.14 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.969 -0.616 . . . . 0.0 109.868 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.2 t80 -80.9 -0.66 40.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.902 -0.57 . . . . 0.0 109.862 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 13.8 t60 -99.22 -8.39 25.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.555 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.972 HG11 ' CE1' ' A' ' 52' ' ' HIS . 26.2 m -111.17 17.67 7.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.6 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -152.69 25.41 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.8 m80 -149.44 -61.3 0.22 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.731 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.719 ' HB3' HG23 ' A' ' 74' ' ' THR . 5.7 m-20 -51.59 177.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 74' ' ' THR . 10.3 pttm -136.58 -46.46 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' O ' ' A' ' 74' ' ' THR . 1.7 m-20 -49.61 -23.17 1.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.719 HG23 ' HB3' ' A' ' 71' ' ' ASP . 22.2 p -41.69 164.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.368 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -40.54 91.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.46 163.5 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.7 mttp -68.9 157.98 35.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.5 ' O ' HMC3 ' A' ' 110' ' ' HEC . 5.0 p -119.85 -170.71 2.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 85.4 m -79.28 -46.38 17.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 108.349 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.035 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.4 t -74.89 -33.05 29.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.55 -72.34 0.55 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.488 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.0 t -43.78 -50.49 7.74 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.296 -1.001 . . . . 0.0 108.296 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -56.1 -36.23 67.94 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.753 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.035 HG23 ' O ' ' A' ' 80' ' ' VAL . 61.3 t -70.98 -33.25 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -80.59 -19.99 44.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.721 HG11 ' O1D' ' A' ' 110' ' ' HEC . 78.5 t -92.13 -55.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.826 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -79.72 165.48 22.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.75 -35.41 2.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.96 -24.26 65.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -120.97 148.07 44.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 25.73 2.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -118.6 -70.76 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.11 -26.48 27.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -68.08 -7.4 29.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -119.72 -0.48 10.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.53 -29.01 6.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.826 HD12 ' HB2' ' A' ' 87' ' ' ALA . 20.2 mt -92.09 -44.36 8.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 70.9 p -106.77 0.64 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.73 156.62 31.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.772 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 69.3 m -98.17 -46.01 6.0 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 142.8 45.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.66 5.59 5.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 107' ' ' GLU . 16.7 t -78.97 151.53 31.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 1.013 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.1 OUTLIER -53.62 -42.38 67.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.469 ' HA ' HG13 ' A' ' 18' ' ' VAL . 41.3 m -68.09 -61.62 1.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 108.31 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -100.12 61.85 1.1 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.761 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 103' ' ' SER . 1.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.017 HMB3 ' HG2' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.044 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.013 HMA3 ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.828 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 122.057 0.932 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' LYS . 37.0 Cg_endo -88.12 113.68 0.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.313 3.342 . . . . 0.0 109.605 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.953 ' O ' HMB2 ' A' ' 108' ' ' HEC . 9.9 mmtt -61.87 -124.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . -120.41 75.2 24.22 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 80.6 Cg_exo -40.53 162.05 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.261 3.307 . . . . 0.0 109.608 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -84.66 179.14 7.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -44.17 167.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.32 -8.72 3.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.435 1.085 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.729 HD21 ' HD1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -99.25 129.11 45.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.9 121.39 26.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.477 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.4 OUTLIER -94.63 86.19 4.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 2.0 pt-20 -122.92 42.15 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.02 -23.74 65.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.575 HG23 ' O1D' ' A' ' 111' ' ' HEC . 2.7 p -104.39 -159.58 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.365 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' C ' ' CG ' ' A' ' 16' ' ' GLN . 9.8 mtmm -92.84 30.7 1.52 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.424 1.077 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.552 ' OE1' ' C1A' ' A' ' 111' ' ' HEC . 0.3 OUTLIER -155.55 91.6 2.78 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.44 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 23.4 Cg_exo -64.5 127.37 18.8 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.331 3.354 . . . . 0.0 109.624 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 16' ' ' GLN . 43.8 t -138.69 99.21 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -77.91 155.59 5.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.729 ' HD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -148.16 119.51 7.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -88.85 144.72 26.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -79.84 -28.69 40.04 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.782 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.7 p -68.47 -18.63 64.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.981 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -99.92 5.15 45.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 80.6 m80 -150.47 50.76 0.88 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.763 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -101.0 -21.17 15.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 37.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.6 t -135.1 144.1 35.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 tmmt? -47.78 119.83 3.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.6 t -54.88 -20.25 8.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 108.319 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.71 12.85 62.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.552 1.158 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -86.68 -38.19 17.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.535 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -96.19 -46.98 6.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -94.79 77.32 3.67 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.739 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.678 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.6 p80 -71.22 159.79 84.47 Favored Pre-proline 0 CA--C 1.539 0.557 0 O-C-N 124.124 0.89 . . . . 0.0 109.727 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.6 Cg_exo -64.17 130.63 27.75 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.341 3.36 . . . . 0.0 109.63 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.093 HG11 HBC2 ' A' ' 109' ' ' HEC . 10.2 t -136.91 125.31 34.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 109.253 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.48 ' ND2' HG12 ' A' ' 37' ' ' VAL . 0.6 OUTLIER 63.29 35.46 12.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.01 57.63 18.12 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.565 1.166 . . . . 0.0 110.991 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.0 tttm 171.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.511 ' C ' ' O ' ' A' ' 40' ' ' LYS . 14.1 mt-10 -29.25 126.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -112.2 145.8 39.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -132.86 23.87 4.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.791 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 45' ' ' LYS . 6.8 mtm180 -91.51 169.1 11.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 0.0 110.284 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.708 ' HD3' HG23 ' A' ' 48' ' ' THR . 0.0 OUTLIER -37.64 141.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.6 m -61.06 -44.78 96.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 108.308 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -75.25 -85.89 0.31 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 110.983 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.708 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.57 167.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 110.433 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.98 121.47 30.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.77 -14.66 14.42 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.112 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 4.0 m -120.16 -139.08 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.951 ' CE1' HG11 ' A' ' 68' ' ' VAL . 64.9 m-70 -61.18 87.4 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.755 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -113.47 20.1 16.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -96.06 117.82 31.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.3 mmt -133.01 59.08 1.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -125.92 -168.95 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -125.27 92.29 3.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.487 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 3.9 mttm 164.28 -85.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.31 127.24 12.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' O ' ' CG ' ' A' ' 67' ' ' HIS . 8.3 mttm -118.18 15.37 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.5 t -57.3 174.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.02 -31.54 51.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.84 -32.25 73.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.37 116.51 3.14 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.557 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.5 t80 -69.28 -46.89 66.11 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.0 -0.6 . . . . 0.0 109.838 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.795 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -79.21 -2.98 43.54 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.864 -0.589 . . . . 0.0 109.777 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 60' ' ' LYS . 13.6 t60 -97.05 -10.05 26.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.595 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.951 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.3 m -107.39 15.24 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.557 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.18 26.18 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.032 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.795 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.5 m80 -150.32 -80.99 0.11 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.763 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -43.14 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -122.03 -1.02 9.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -92.13 43.22 1.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.357 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.406 HG22 ' CE1' ' A' ' 67' ' ' HIS . 23.5 p -119.37 164.6 15.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 110.417 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.556 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.1 92.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.613 ' O ' HMA2 ' A' ' 109' ' ' HEC . 62.9 m-85 -112.51 144.7 41.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -57.8 157.27 7.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.2 m -111.1 -114.07 0.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 73.9 m -138.04 -48.4 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.051 ' O ' HG23 ' A' ' 84' ' ' VAL . 54.8 t -73.33 -31.51 34.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.69 -70.31 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.473 1.108 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.661 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.9 t -43.9 -48.41 8.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.59 -37.28 70.4 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.009 -0.996 . . . . 0.0 109.8 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 80' ' ' VAL . 86.7 t -69.47 -31.64 49.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -85.75 -10.57 55.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.75 HG11 ' O1D' ' A' ' 110' ' ' HEC . 65.3 t -96.77 -49.87 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -37.5 -45.39 0.73 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 75.18 -87.93 0.79 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.46 19.52 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.563 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 30.2 t0 -84.44 73.57 10.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -49.87 -22.49 1.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.563 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -73.76 -49.71 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.775 ' HD2' HD11 ' A' ' 97' ' ' LEU . 6.5 ttmm -76.14 -21.19 56.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -60.95 -14.5 23.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 13.49 33.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 109.276 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -127.38 -42.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.775 HD11 ' HD2' ' A' ' 93' ' ' LYS . 8.6 mt -81.55 -51.63 8.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 43.7 p -101.57 -4.67 26.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.01 150.56 9.85 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.829 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 62.0 m -94.73 -44.54 7.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 3.6 tptp -115.48 131.92 56.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.1 tttt 87.8 -7.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 29.4 t -67.06 154.79 40.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.029 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.948 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.4 mptp? -59.56 -39.96 85.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.5 m -68.05 -55.46 12.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -109.82 65.73 0.62 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.728 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.29 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.041 HMB1 HBB3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.093 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.991 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.929 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.664 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 122.088 0.947 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.708 ' HG2' HMB3 ' A' ' 108' ' ' HEC . 33.1 Cg_endo -86.8 -161.7 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.306 3.337 . . . . 0.0 109.635 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 4' ' ' ALA . 1.2 mtmm -124.96 102.63 7.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.282 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -36.4 98.32 0.15 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.452 ' N ' ' O ' ' A' ' 3' ' ' LYS . 35.3 Cg_exo -58.39 160.95 15.22 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.302 3.334 . . . . 0.0 109.636 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -73.56 143.83 46.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.95 148.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.04 43.32 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD13 HAD2 ' A' ' 108' ' ' HEC . 0.3 OUTLIER -129.89 132.82 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.61 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.98 133.69 35.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.508 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 6.1 mtp -105.88 95.91 6.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.9 OUTLIER -128.83 46.97 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.28 -17.88 60.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' O2D' ' A' ' 111' ' ' HEC . 3.2 p -112.22 -155.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' O ' ' CD ' ' A' ' 16' ' ' GLN . 3.2 mttp -91.24 24.94 2.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' HG2' ' CE1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -149.52 103.05 3.27 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.298 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 90.6 Cg_endo -83.35 110.16 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.261 3.307 . . . . 0.0 109.571 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 105' ' ' CYS . 78.8 t -122.13 116.03 47.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.087 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.61 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -87.37 144.25 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.722 ' HD1' HD21 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -139.65 115.12 9.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.403 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.3 OUTLIER -91.71 143.05 26.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -74.32 -26.91 60.45 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.764 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 p -69.58 -17.24 63.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.014 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 17.4 p -101.37 7.13 42.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -151.48 43.74 0.76 Allowed 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.988 -1.006 . . . . 0.0 109.723 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 27' ' ' SER . 1.2 ptpp? -89.19 162.75 15.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 1.4 p 85.51 -47.79 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.7 t -51.1 132.9 12.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -53.55 122.82 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.5 m -52.93 -22.29 5.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 0.0 108.279 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.08 -5.29 70.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.544 1.152 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -80.0 -34.84 38.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 0.78 . . . . 0.0 109.321 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.712 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -107.09 -43.44 4.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 108.335 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -97.07 73.57 2.53 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.61 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.0 p80 -69.07 158.36 86.74 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.147 0.904 . . . . 0.0 109.784 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 16.8 Cg_exo -66.5 128.44 19.2 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.281 3.32 . . . . 0.0 109.591 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.099 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.0 t -128.83 111.73 24.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.292 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 70.46 38.51 1.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 57.2 52.14 53.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.1 tttp -178.21 104.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.767 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 40' ' ' LYS . 15.5 mt-10 -32.67 127.53 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' OD1' HMC2 ' A' ' 109' ' ' HEC . 13.7 t70 -111.54 133.89 53.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.15 17.27 7.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.862 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 -85.96 172.66 10.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -40.93 123.64 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 24.7 m -42.68 -43.08 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 108.28 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.507 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.28 -93.76 0.55 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.507 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.76 151.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 0.0 110.376 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.16 123.58 21.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 118.11 -8.87 14.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -136.15 -139.87 0.16 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.016 ' CE1' HG11 ' A' ' 68' ' ' VAL . 63.7 m-70 -59.75 81.62 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.78 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 51' ' ' CYS . 52.4 t0 -115.45 27.97 8.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.1 t -106.12 118.08 35.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -131.52 58.43 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -122.35 -167.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -130.58 90.89 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.2 OUTLIER 167.96 -67.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.332 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.88 129.06 38.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -121.74 29.24 7.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.79 173.68 11.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -54.61 -29.39 51.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -63.83 -19.92 65.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.349 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.56 118.8 16.08 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.587 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.0 t80 -68.46 -49.09 62.4 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.951 -0.625 . . . . 0.0 109.794 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.814 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -78.47 -2.82 40.42 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 118.885 -0.579 . . . . 0.0 109.795 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.419 ' CE1' HG22 ' A' ' 74' ' ' THR . 13.6 t60 -96.98 -11.21 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.573 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.016 HG11 ' CE1' ' A' ' 52' ' ' HIS . 22.1 m -107.39 16.77 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.587 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -153.83 30.95 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.814 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 72.3 m80 -152.68 -74.4 0.14 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.785 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.39 151.56 3.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.4 -13.9 12.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -14.23 62.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.467 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 24.2 p -54.76 165.59 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.385 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.554 ' HD3' ' CE1' ' A' ' 76' ' ' PHE . 25.9 tttp -64.87 -38.86 92.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.554 ' CE1' ' HD3' ' A' ' 75' ' ' LYS . 10.9 m-30 -107.99 162.83 13.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 157.7 26.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.506 ' O ' HMC3 ' A' ' 110' ' ' HEC . 82.6 p -121.72 -176.23 3.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.37 -46.1 28.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 108.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.046 ' O ' HG23 ' A' ' 84' ' ' VAL . 55.2 t -77.52 -33.85 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.469 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.1 -70.58 0.85 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.902 ' O ' HG23 ' A' ' 86' ' ' VAL . 3.2 t -44.22 -49.49 9.19 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -56.2 -35.02 66.81 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.046 HG23 ' O ' ' A' ' 80' ' ' VAL . 86.3 t -74.45 -33.4 33.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -81.99 -16.26 50.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 82' ' ' CYS . 74.9 t -78.5 -56.47 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 86' ' ' VAL . . . -45.75 169.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.51 -53.78 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.1 22.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -110.77 81.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -49.01 -52.93 22.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -44.52 -47.01 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -32.24 70.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -73.5 -4.88 36.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -120.15 0.23 10.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 92' ' ' ALA . 42.6 m-20 -117.95 -26.24 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.604 ' O ' HMC1 ' A' ' 111' ' ' HEC . 35.7 mt -96.83 -43.69 7.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 46.2 p -107.21 2.44 24.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -59.39 155.97 27.14 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.819 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 25.7 m -97.47 -41.37 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -125.79 135.93 52.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.0 OUTLIER 87.68 -8.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 40.8 t -71.55 159.64 34.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.961 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.957 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.6 OUTLIER -58.73 -40.63 84.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.464 ' O ' HG22 ' A' ' 18' ' ' VAL . 46.5 m -67.76 -61.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 108.313 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 16' ' ' GLN . 87.5 m-70 -107.58 66.05 0.66 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.781 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.982 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.099 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.957 HMA3 ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.826 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.59 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 122.036 0.922 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.59 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 19.4 Cg_endo -56.16 147.17 66.95 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.306 3.337 . . . . 0.0 109.606 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 4' ' ' ALA . 18.9 mmtt -136.72 50.28 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . 38.85 88.75 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' ALA . 68.3 Cg_exo -40.29 162.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.34 3.36 . . . . 0.0 109.576 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -55.68 141.4 38.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.37 150.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 42.11 0.09 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.434 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -124.46 122.32 37.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.767 . . . . 0.0 109.265 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.832 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -129.16 148.23 51.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.484 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 1.2 mtm -117.59 112.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.496 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 1.6 pt-20 -143.41 53.79 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -19.48 39.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.56 HG23 ' CGD' ' A' ' 111' ' ' HEC . 4.0 p -106.3 -158.02 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 1.9 mtpp -90.64 23.43 3.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -151.09 103.68 2.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 86.1 Cg_endo -80.67 126.96 6.17 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.284 3.323 . . . . 0.0 109.559 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.8 t -134.31 113.5 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.832 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.38 145.09 8.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.601 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -144.02 116.0 8.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.746 HD22 ' N ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -92.23 133.2 36.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -65.63 -28.31 69.02 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.752 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.0 p -64.96 -39.72 93.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.017 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 18.4 p -77.19 -2.4 34.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.419 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.503 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 76.7 m80 -144.29 46.98 1.41 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.773 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.07 -13.58 18.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.2 t -91.72 26.3 2.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 40.9 t -134.22 140.21 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -60.55 136.49 58.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -57.86 -25.84 61.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 108.29 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.1 -2.56 58.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -84.61 -36.74 21.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 0.766 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.533 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -103.63 -47.66 4.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 108.286 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -91.77 77.28 5.57 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.781 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.749 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.5 p80 -68.2 155.26 92.64 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.117 0.885 . . . . 0.0 109.78 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -74.69 118.72 5.42 Favored 'Trans proline' 0 N--CA 1.446 -1.301 0 C-N-CA 124.361 3.374 . . . . 0.0 109.593 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.749 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -115.25 147.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.369 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 44.1 27.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.429 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 65.36 57.79 10.8 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' GLU . 18.9 ttmt 179.46 103.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.2 mt-10 -35.37 123.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -114.71 137.01 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.272 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -121.87 9.1 9.98 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.816 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.44 165.31 24.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' O ' HMC3 ' A' ' 109' ' ' HEC . 1.6 mttp -41.76 135.96 2.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.49 -29.27 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 108.334 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -116.65 48.72 0.91 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -94.22 147.89 22.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.764 . . . . 0.0 110.404 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -48.7 125.67 10.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.407 ' O ' ' SG ' ' A' ' 51' ' ' CYS . . . 101.74 15.47 26.71 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.042 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 50' ' ' GLY . 31.4 m -150.91 -131.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.998 ' CE1' HG11 ' A' ' 68' ' ' VAL . 81.9 m-70 -71.95 88.71 1.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.788 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -105.05 -12.1 16.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.407 ' O ' ' CB ' ' A' ' 65' ' ' TYR . 2.1 t -63.9 120.97 12.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.037 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.4 mtt -142.46 63.25 1.4 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -138.26 -166.97 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.122 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 64.1 tttt -115.26 84.88 2.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.495 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.8 mmtp 163.81 -75.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' LYS . 1.4 t70 -40.13 113.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.6 mtpt -111.47 -10.46 14.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 57.7 m -43.7 166.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 110.013 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.52 ' CB ' ' O2A' ' A' ' 109' ' ' HEC . . . -51.58 -23.14 3.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -30.5 70.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -44.4 118.35 2.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.582 ' CE2' ' O1D' ' A' ' 111' ' ' HEC . 3.8 t80 -75.69 -36.55 60.03 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.01 -0.595 . . . . 0.0 109.804 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.649 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 0.0 OUTLIER -91.74 -3.55 56.08 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.865 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.491 ' CD2' ' O ' ' A' ' 60' ' ' LYS . 15.3 t60 -95.63 -11.71 26.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.591 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.998 HG11 ' CE1' ' A' ' 52' ' ' HIS . 31.2 m -104.26 14.8 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.538 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.73 34.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.949 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.453 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.4 m80 -158.33 -66.29 0.09 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.806 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 74' ' ' THR . 7.3 m-20 -53.35 151.36 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.346 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.93 -27.62 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -23.7 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 71' ' ' ASP . 24.5 p -41.75 163.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -38.77 91.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.466 ' CE2' ' O2D' ' A' ' 109' ' ' HEC . 23.3 m-85 -111.34 170.2 8.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -69.31 157.71 36.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.527 ' O ' HMC3 ' A' ' 110' ' ' HEC . 69.6 p -118.75 -175.22 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 70.9 m -79.91 -42.4 24.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 108.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 91.9 t -80.88 -32.84 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.5 -70.51 0.91 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.994 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.3 t -44.36 -48.72 9.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -57.02 -36.74 70.78 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.784 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 87.1 t -74.94 -33.48 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.429 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -82.3 -18.01 43.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.994 HG23 ' O ' ' A' ' 82' ' ' CYS . 53.3 t -73.39 -54.56 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -44.61 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -159.78 -53.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -151.73 32.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 0.745 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.554 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 8.9 t0 -114.57 110.77 20.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.88 16.49 4.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.554 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -117.6 -49.05 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -26.92 67.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.421 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.3 pptp? -83.98 1.51 43.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -119.6 6.49 11.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -130.47 -43.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.603 ' O ' HMC1 ' A' ' 111' ' ' HEC . 29.3 mt -74.97 -36.96 62.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 68.7 p -108.52 -0.76 20.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 110.416 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.33 152.61 20.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.759 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 58.9 m -96.48 -46.44 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 150.25 27.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt 50.52 22.91 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 29.5 t -78.08 164.32 25.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.561 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -62.44 -21.59 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 25.4 m -99.1 -58.82 1.85 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 108.284 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -94.21 58.04 2.44 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.785 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.987 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.594 HMB1 HBB3 ' A' ' 109' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.977 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.787 HMC1 HBC3 ' A' ' 111' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.661 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 122.081 0.943 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.661 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 43.3 Cg_exo -55.37 110.55 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.32 3.346 . . . . 0.0 109.618 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.819 ' O ' HMB2 ' A' ' 108' ' ' HEC . 1.8 mttt -72.33 173.55 8.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.78 86.9 11.45 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 67.2 Cg_exo -40.3 161.72 0.03 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.288 0 C-N-CA 124.306 3.337 . . . . 0.0 109.612 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.02 151.55 31.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.04 170.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.12 17.01 6.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.716 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -105.54 125.21 50.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.953 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.64 140.2 46.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.407 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 1.8 mtp -104.68 118.73 37.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -146.59 58.39 1.19 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.09 -16.46 35.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.57 HG23 ' O2D' ' A' ' 111' ' ' HEC . 3.7 p -112.62 -159.68 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.358 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 20.1 mtpt -91.92 23.04 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.501 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -146.6 88.91 5.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.254 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -67.41 130.36 22.23 Favored 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.309 3.339 . . . . 0.0 109.612 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -137.07 119.7 20.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.953 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -86.96 152.96 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -155.54 118.22 4.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.402 ' O ' ' OG1' ' A' ' 24' ' ' THR . 0.4 OUTLIER -104.96 131.3 52.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.405 ' O ' ' C ' ' A' ' 25' ' ' HIS . 47.8 m80 -58.85 -28.92 66.53 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.744 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.1 p -55.86 -43.07 76.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 80.7 p -75.8 -4.33 40.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.352 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' HIS . 60.6 m80 -142.68 44.51 1.61 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.715 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -99.43 101.71 13.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.633 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 2.6 t 148.34 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -54.88 135.83 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -48.99 122.16 5.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.465 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.4 m -53.68 -23.35 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 108.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.89 -3.95 69.94 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -82.34 -32.47 29.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.361 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.3 m -108.67 -44.02 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -95.32 82.48 3.72 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.782 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.701 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.4 p80 -79.74 154.75 75.9 Favored Pre-proline 0 CA--C 1.539 0.546 0 O-C-N 124.21 0.944 . . . . 0.0 109.736 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -73.42 130.08 14.59 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.375 3.383 . . . . 0.0 109.543 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.701 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.9 t -127.57 -77.04 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -74.16 62.51 0.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.24 30.37 1.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.6 OUTLIER -172.22 131.89 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 40' ' ' LYS . 18.9 mt-10 -36.37 120.92 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.48 130.02 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 6.5 m-85 -126.09 20.47 7.56 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.853 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.2 mtm180 -97.15 175.21 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.548 ' O ' HMC3 ' A' ' 109' ' ' HEC . 18.6 mttp -37.77 137.18 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.452 ' SG ' ' CGD' ' A' ' 108' ' ' HEC . 55.7 m -62.8 -47.35 83.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 108.29 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -71.76 -83.37 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.438 HG23 ' HB2' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.16 167.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 110.416 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.69 120.83 29.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.46 -23.32 9.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.557 1.161 . . . . 0.0 110.972 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -110.88 -139.28 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.945 ' CE1' HG11 ' A' ' 68' ' ' VAL . 64.3 m-70 -60.99 76.18 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 7.6 p-10 -106.1 25.14 11.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.9 t -111.96 122.22 47.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.419 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.3 mtt -127.43 57.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -116.27 -171.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -133.12 93.81 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.6 OUTLIER 164.94 -67.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.99 124.76 17.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -110.63 33.13 4.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.591 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 0.6 OUTLIER -82.02 177.34 8.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.991 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.515 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.67 -5.3 39.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -88.86 -12.84 40.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.01 116.66 6.92 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.516 1.135 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.617 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.8 t80 -64.54 -53.0 54.84 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.965 -0.617 . . . . 0.0 109.839 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.804 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.5 t80 -75.09 0.09 17.29 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.904 -0.57 . . . . 0.0 109.788 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 61' ' ' SER . 13.4 t60 -99.11 -9.3 24.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.64 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.945 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.1 m -111.74 16.57 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.617 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -150.3 23.26 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 111.012 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.804 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -151.16 -55.63 0.15 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.775 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.559 ' HB3' HG23 ' A' ' 74' ' ' THR . 2.4 m-20 -52.58 -176.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -147.12 -47.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 74' ' ' THR . 0.3 OUTLIER -49.66 -23.17 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.313 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.559 HG23 ' HB3' ' A' ' 71' ' ' ASP . 22.8 p -42.05 164.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.389 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -40.56 95.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -109.77 155.56 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -64.28 156.83 27.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.501 ' O ' HMC3 ' A' ' 110' ' ' HEC . 9.2 t -121.16 -172.96 2.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.963 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 61.5 m -74.53 -59.92 2.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 108.266 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 44.9 t -61.42 -35.87 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.08 -72.57 0.5 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.439 1.087 . . . . 0.0 110.982 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.591 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.4 t -44.08 -50.63 8.4 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.8 -35.82 66.74 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.779 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 72.8 t -71.02 -33.27 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.247 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.4 -8.84 59.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 82' ' ' CYS . 99.6 t -107.21 -57.83 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.987 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -74.19 58.12 0.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.37 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.38 24.61 3.72 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.529 1.143 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.77 -29.9 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.745 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -129.15 154.59 46.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.24 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -97.89 29.76 3.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -114.32 -62.64 1.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -27.3 65.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.434 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.47 -18.2 6.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.14 21.23 17.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -137.94 -43.5 0.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.987 HD12 ' HB2' ' A' ' 87' ' ' ALA . 19.4 mt -78.36 -43.77 26.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 64.6 p -107.84 2.85 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.429 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.46 163.04 1.34 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.52 1.138 . . . . 0.0 110.973 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.867 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 14.1 m -109.32 -38.84 5.39 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -127.79 130.86 49.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 3.2 ttmt 87.89 -8.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.8 t -64.86 155.21 34.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.957 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.5 mptp? -53.71 -41.81 67.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.7 m -68.03 -57.83 5.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 108.296 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -103.73 64.96 0.81 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.761 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 110.31 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.041 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.565 ' CHB' ' HB ' ' A' ' 68' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.994 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.867 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.465 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 122.096 0.95 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.653 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 4.5 Cg_exo -81.6 162.98 19.1 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.299 3.333 . . . . 0.0 109.538 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.799 ' O ' HMB2 ' A' ' 108' ' ' HEC . 0.9 OUTLIER -88.56 -176.0 5.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.98 76.9 11.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.179 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 3' ' ' LYS . 86.4 Cg_exo -41.44 163.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.292 3.328 . . . . 0.0 109.602 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -82.73 169.27 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.305 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -44.95 168.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 122.46 4.87 8.82 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.59 1.181 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -102.74 121.58 42.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.77 . . . . 0.0 109.315 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.829 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.31 144.27 50.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.641 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 2.6 mtp -108.97 105.3 14.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 17' ' ' PRO . 1.1 mt-10 -132.73 50.53 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.263 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.53 -24.18 42.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.571 HG23 ' O1D' ' A' ' 111' ' ' HEC . 3.1 p -106.51 -160.04 0.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 10.2 mttp -92.33 24.16 3.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -147.55 87.76 5.89 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . 23.3 Cg_exo -65.84 131.0 26.03 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.334 3.356 . . . . 0.0 109.617 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 65.0 t -139.2 115.03 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.829 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.5 152.49 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.607 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -97.21 134.1 40.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -64.93 -31.26 72.41 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.785 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.5 p -60.12 -40.46 89.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.8 p -78.63 -0.88 31.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 110.349 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -145.98 49.7 1.19 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.78 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -103.65 -15.02 15.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.283 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.1 t -98.14 36.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 41.9 t -131.62 145.91 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 120.22 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -54.69 -20.65 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 108.32 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.63 14.79 61.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -87.87 -33.46 18.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 0.788 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.464 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -102.31 -52.11 3.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -88.66 73.65 8.53 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.768 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.684 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.9 p80 -68.93 159.61 81.91 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.163 0.914 . . . . 0.0 109.787 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 22.7 Cg_exo -63.56 129.84 26.34 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.305 3.337 . . . . 0.0 109.608 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.091 HG11 HBC2 ' A' ' 109' ' ' HEC . 10.6 t -136.35 120.5 24.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.501 ' ND2' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER 66.49 35.52 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.402 ' O ' ' CB ' ' A' ' 40' ' ' LYS . . . 56.63 58.85 12.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 41' ' ' GLU . 13.0 tttm 170.51 104.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 0.787 . . . . 0.0 109.258 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.497 ' C ' ' O ' ' A' ' 40' ' ' LYS . 6.9 mt-10 -30.6 126.51 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.3 142.75 39.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.167 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.653 ' CD2' ' HG2' ' A' ' 2' ' ' PRO . 9.5 m-85 -128.11 19.73 6.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.023 -0.989 . . . . 0.0 109.881 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 45' ' ' LYS . 42.0 mtm180 -88.5 165.77 14.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.613 ' O ' HMC3 ' A' ' 109' ' ' HEC . 13.3 mttt -37.42 142.43 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.2 m -59.94 -41.92 92.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 51' ' ' CYS . . . -77.85 -87.6 0.41 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.76 167.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 0.792 . . . . 0.0 110.385 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.08 125.04 33.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.137 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 113.43 -15.45 22.43 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.533 1.145 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 3.9 m -120.48 -140.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.944 ' CE1' HG11 ' A' ' 68' ' ' VAL . 61.2 m-70 -61.05 82.52 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.713 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -112.06 27.28 9.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.6 t -110.87 116.21 30.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.977 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.452 ' SD ' HG22 ' A' ' 14' ' ' THR . 2.0 mtt -124.74 55.73 1.33 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -120.26 -169.78 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.909 ' NZ ' HMA2 ' A' ' 111' ' ' HEC . 0.0 OUTLIER -133.64 93.78 3.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 170.45 -58.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -83.83 119.95 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.583 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 10.8 pttt -107.79 23.33 14.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.42 1.075 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.567 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.4 m -59.97 -178.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.95 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.491 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -68.1 -9.93 50.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.28 -19.82 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.03 117.85 13.06 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.591 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.7 t80 -67.08 -50.64 61.0 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.031 -0.584 . . . . 0.0 109.851 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.807 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.4 t80 -76.58 -1.15 26.08 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 118.958 -0.544 . . . . 0.0 109.857 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.583 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 12.4 t60 -98.29 -10.24 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.604 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.944 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.2 m -109.29 15.57 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.591 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.05 26.85 0.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 111.027 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.807 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.3 m80 -153.76 -76.22 0.12 Allowed 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.95 -1.023 . . . . 0.0 109.736 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.47 152.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.08 -5.59 10.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.318 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -90.21 43.01 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.548 HG22 ' CE1' ' A' ' 67' ' ' HIS . 22.0 p -117.45 165.24 13.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.55 ' NZ ' ' CE1' ' A' ' 76' ' ' PHE . 24.4 tttm -61.17 -40.05 92.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.55 ' CE1' ' NZ ' ' A' ' 75' ' ' LYS . 67.5 m-85 -112.99 155.48 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mttm -64.31 158.88 22.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.434 ' HB3' ' CA ' ' A' ' 69' ' ' MET . 35.1 m -113.46 -124.71 0.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.036 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 99.2 m -127.26 -46.09 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 108.263 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.062 ' O ' HG23 ' A' ' 84' ' ' VAL . 69.2 t -77.75 -32.02 17.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.47 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.8 -70.98 0.76 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 t -43.61 -49.83 7.52 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -55.59 -36.5 66.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.712 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.062 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.8 t -70.13 -33.92 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -82.62 -8.0 59.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.309 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 82' ' ' CYS . 96.8 t -108.15 -58.06 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.05 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -73.97 58.37 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -131.84 25.05 4.0 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.92 -31.78 5.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.07 149.18 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.99 27.79 3.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -110.34 -60.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.589 ' HZ3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -63.62 -24.28 67.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.436 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.78 -17.69 6.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -105.66 19.05 21.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.27 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' OD1' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -135.36 -43.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.05 HD12 ' HB2' ' A' ' 87' ' ' ALA . 14.5 mt -78.27 -43.98 26.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 57.5 p -108.71 3.02 22.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.09 157.99 9.11 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.468 1.105 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.893 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 21.1 m -104.04 -40.5 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 6.3 tptp -121.37 130.25 53.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.6 ttmt 87.49 -8.52 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 107' ' ' GLU . 27.1 t -63.09 153.25 34.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.03 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.953 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -55.67 -40.36 72.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.238 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.5 m -70.55 -50.12 40.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 108.291 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -112.93 68.69 0.68 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.723 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 110.301 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.021 HMB1 HBB3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.091 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.98 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.909 HMA2 ' NZ ' ' A' ' 57' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.908 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 122.02 0.914 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.908 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 68.5 Cg_exo -48.33 88.56 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.324 3.349 . . . . 0.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 1' ' ' ALA . 20.0 mttt -106.46 44.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 109.342 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . 39.02 90.15 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' ALA . 64.6 Cg_exo -40.14 162.14 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.322 3.348 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -52.97 144.68 14.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.75 148.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.01 42.63 0.05 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.115 . . . . 0.0 110.968 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.522 HD11 HAD2 ' A' ' 108' ' ' HEC . 0.1 OUTLIER -126.9 123.35 37.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.879 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.82 144.14 50.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.45 ' CE ' ' O2D' ' A' ' 108' ' ' HEC . 2.0 mtp -113.42 112.53 23.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 14.2 pt-20 -142.38 54.5 1.44 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.57 -34.3 40.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.433 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.1 p -93.82 -158.18 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.363 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' HB2' ' OE1' ' A' ' 16' ' ' GLN . 9.6 mttt -90.89 31.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' OE1' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -157.38 103.52 1.85 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 84.1 Cg_endo -80.93 128.24 6.49 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.276 3.317 . . . . 0.0 109.624 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.18 112.34 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.879 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -82.95 145.19 8.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.611 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -145.39 115.78 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -90.33 143.18 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CE1' ' CD2' ' A' ' 9' ' ' LEU . 19.5 m80 -74.79 -24.9 58.72 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.75 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.0 p -69.56 -21.01 63.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.6 p -96.12 -0.55 50.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.467 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 77.1 m80 -147.06 48.19 1.14 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.752 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.68 -12.11 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.4 m -90.08 20.85 4.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.472 HG12 ' HB3' ' A' ' 32' ' ' ASP . 53.3 t -131.76 141.75 44.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -61.35 139.34 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.7 m -58.82 -26.41 64.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 108.323 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.42 -3.49 58.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' HB3' HG12 ' A' ' 28' ' ' VAL . 5.3 t0 -83.69 -32.36 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 109.281 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.652 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -109.75 -46.11 3.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -94.33 76.38 3.93 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.99 -1.004 . . . . 0.0 109.772 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.597 ' CE1' HG22 ' A' ' 37' ' ' VAL . 7.2 p80 -72.18 158.68 87.15 Favored Pre-proline 0 CA--C 1.54 0.58 0 O-C-N 124.192 0.933 . . . . 0.0 109.751 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.22 128.21 19.03 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.283 3.322 . . . . 0.0 109.638 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.048 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.2 t -128.94 114.5 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.72 35.53 3.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.247 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.91 55.15 31.97 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 41' ' ' GLU . 17.0 tttt 178.29 103.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 0.774 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' C ' ' O ' ' A' ' 40' ' ' LYS . 7.7 mt-10 -31.5 126.28 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -110.61 133.81 52.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -127.16 22.37 6.62 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.809 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 45' ' ' LYS . 1.5 mtt180 -90.66 171.38 9.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' ARG . 3.1 mtpm? -40.29 122.51 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.482 ' SG ' ' CGD' ' A' ' 108' ' ' HEC . 35.4 m -42.63 -40.35 2.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 108.259 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -84.16 -93.4 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.49 1.119 . . . . 0.0 110.954 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.521 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.3 OUTLIER 55.44 150.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 0.0 110.46 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.65 119.63 14.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 122.3 -7.01 9.91 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 6.4 m -136.57 -138.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.995 ' CE1' HG11 ' A' ' 68' ' ' VAL . 71.4 m-70 -60.91 88.01 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.728 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -105.6 -15.78 14.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -61.98 122.71 16.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.1 mtt -142.08 62.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -131.9 -164.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' CD ' ' N ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -124.58 88.16 2.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 2.4 mmtp 165.84 -74.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.09 128.4 16.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.75 11.01 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.85 170.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.509 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -53.89 -30.03 44.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.81 -29.0 69.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -49.9 116.36 3.8 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.525 1.14 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.562 ' O ' ' CG ' ' A' ' 69' ' ' MET . 3.0 t80 -69.79 -44.4 70.16 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.024 -0.588 . . . . 0.0 109.827 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.808 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.0 OUTLIER -82.74 -1.36 51.28 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-O 118.876 -0.583 . . . . 0.0 109.819 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' A' ' 74' ' ' THR . 12.8 t60 -97.67 -10.76 24.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.655 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.995 HG11 ' CE1' ' A' ' 52' ' ' HIS . 17.1 m -106.36 13.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.562 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -148.35 24.37 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.808 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.11 -79.91 0.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.775 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -41.11 151.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.65 -9.82 11.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -87.34 47.04 1.44 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.567 HG22 ' CE1' ' A' ' 67' ' ' HIS . 24.0 p -119.77 164.44 15.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -39.69 92.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.44 ' O ' HMA2 ' A' ' 109' ' ' HEC . 54.3 m-85 -114.01 154.14 28.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -63.12 157.82 21.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 49.8 m -113.74 -121.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.995 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 76.4 m -129.93 -46.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 108.305 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.06 ' O ' HG23 ' A' ' 84' ' ' VAL . 72.1 t -76.87 -29.64 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.461 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.16 -70.59 0.93 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 1.015 ' O ' HG23 ' A' ' 86' ' ' VAL . 6.1 t -43.92 -49.19 8.51 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -55.73 -36.93 67.79 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.772 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.06 HG23 ' O ' ' A' ' 80' ' ' VAL . 83.1 t -72.85 -34.07 45.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -83.2 -7.93 59.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 110.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 1.015 HG23 ' O ' ' A' ' 82' ' ' CYS . 76.7 t -89.17 -57.39 4.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.79 166.43 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -175.94 -51.0 0.06 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.68 -29.52 6.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.326 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -78.43 83.9 4.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 94' ' ' LYS . . . -54.72 -49.42 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -46.13 -48.16 17.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -28.71 69.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -77.3 -2.33 34.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -122.77 -1.7 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.457 ' C ' HD23 ' A' ' 97' ' ' LEU . 6.3 m-20 -117.17 -27.35 6.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.578 ' O ' HMC1 ' A' ' 111' ' ' HEC . 2.3 mt -93.43 -44.03 8.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 62.7 p -103.61 -4.8 23.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.66 149.84 18.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.765 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 66.2 m -93.21 -47.19 7.05 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.29 137.56 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 78.79 -0.83 2.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 107' ' ' GLU . 11.8 t -71.86 148.95 45.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 1.023 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -51.23 -40.61 59.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.02 -60.45 2.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 108.276 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -101.28 61.81 0.94 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.703 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.299 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.999 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.048 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.023 HMA3 ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.868 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.051 0.929 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -78.87 -161.86 0.16 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.303 3.335 . . . . 0.0 109.578 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.696 ' O ' HMB2 ' A' ' 108' ' ' HEC . 24.4 mttt -96.18 -60.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -159.51 141.24 9.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.536 ' HG3' ' CE1' ' A' ' 22' ' ' HIS . 48.4 Cg_endo -67.35 176.58 4.65 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.354 3.369 . . . . 0.0 109.579 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -101.35 118.3 36.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.254 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -38.5 156.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 116.26 18.54 5.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.885 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -96.85 143.52 27.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -144.12 135.51 25.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.572 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 4.2 mtp -100.51 96.33 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.3 pt-20 -124.87 44.81 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.08 60.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.341 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.545 HG23 ' CGD' ' A' ' 111' ' ' HEC . 3.6 p -113.92 -157.05 0.61 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.413 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -92.93 32.43 1.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' HG3' ' ND1' ' A' ' 106' ' ' HIS . 0.9 OUTLIER -156.71 91.26 2.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HA ' ' CB ' ' A' ' 12' ' ' GLU . 15.5 Cg_exo -68.05 107.58 1.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.288 3.325 . . . . 0.0 109.636 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.544 HG22 ' O ' ' A' ' 105' ' ' CYS . 47.6 t -112.28 126.65 69.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.28 150.47 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.885 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -154.47 117.03 4.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.96 134.2 48.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.536 ' CE1' ' HG3' ' A' ' 5' ' ' PRO . 35.3 m80 -63.05 -19.55 64.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.5 p -67.75 -27.34 66.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.2 p -93.44 -2.97 53.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 110.395 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -146.24 48.92 1.19 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.774 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ptmt -105.96 3.7 28.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.317 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 m -113.17 30.3 7.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.7 t -136.16 139.31 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.03 130.71 38.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' CB ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 m -55.96 -26.63 48.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 108.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.18 -4.52 56.35 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -82.68 -32.53 28.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.577 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -110.21 -45.76 3.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 108.239 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -94.55 76.09 3.8 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.76 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.601 ' CE1' HG22 ' A' ' 37' ' ' VAL . 6.8 p80 -70.55 159.28 85.53 Favored Pre-proline 0 CA--C 1.54 0.563 0 O-C-N 124.174 0.921 . . . . 0.0 109.754 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 17.0 Cg_exo -66.04 128.7 20.18 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.318 3.345 . . . . 0.0 109.649 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.086 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.3 t -130.12 114.06 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.93 39.68 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 55.62 49.68 64.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 41' ' ' GLU . 4.9 ttpt -176.63 103.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 0.774 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 40' ' ' LYS . 22.3 mt-10 -32.02 129.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -114.16 137.78 51.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 30' ' ' CYS . 10.2 m-85 -129.45 20.73 5.66 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.796 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 45' ' ' LYS . 2.8 mtt180 -87.73 171.11 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 44' ' ' ARG . 13.0 mttm -39.63 123.27 1.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 33.5 m -42.93 -42.93 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 108.305 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.508 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -82.4 -93.5 0.56 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.115 . . . . 0.0 111.002 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.508 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.4 OUTLIER 55.88 150.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 0.796 . . . . 0.0 110.393 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.12 120.7 15.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 121.36 -8.27 10.35 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 5.0 m -135.98 -138.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.036 ' CE1' HG11 ' A' ' 68' ' ' VAL . 68.4 m-70 -60.01 89.46 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.769 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -105.89 -17.09 14.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.548 1.155 . . . . 0.0 109.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 65' ' ' TYR . 1.4 t -61.97 119.33 8.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.976 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 10.6 mtt -140.17 62.25 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -139.17 177.96 7.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.343 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 19.2 tttt -107.52 83.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 19.1 mttt 163.14 -83.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -40.11 122.77 1.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 61' ' ' SER . 16.7 mmtt -105.24 -141.86 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 85.44 164.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.021 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' ND1' ' A' ' 52' ' ' HIS . . . -55.97 -26.52 48.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -62.22 -28.97 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.95 116.19 4.74 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.564 ' O ' ' CG ' ' A' ' 69' ' ' MET . 4.8 t80 -67.64 -46.15 73.29 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.968 -0.616 . . . . 0.0 109.826 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.815 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -80.69 -2.14 45.51 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 118.884 -0.579 . . . . 0.0 109.808 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.561 ' CE1' HG22 ' A' ' 74' ' ' THR . 10.5 t60 -98.14 -8.8 26.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.602 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.036 HG11 ' CE1' ' A' ' 52' ' ' HIS . 18.7 m -108.59 14.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.564 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -149.94 30.74 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.997 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.815 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 71.6 m80 -151.39 -82.11 0.1 Allowed 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.025 -0.988 . . . . 0.0 109.693 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -49.84 150.81 2.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 81' ' ' GLY . 0.1 OUTLIER -111.4 -23.32 10.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -55.7 -19.22 10.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 67' ' ' HIS . 20.6 p -52.7 165.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -61.85 -39.48 92.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.434 ' O ' HMA2 ' A' ' 109' ' ' HEC . 22.5 m-85 -117.97 157.62 26.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -62.47 158.14 18.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.403 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -116.78 -95.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.042 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 110' ' ' HEC . 79.5 m -153.1 -47.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 108.335 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.075 ' O ' HG23 ' A' ' 84' ' ' VAL . 48.3 t -72.94 -34.22 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -53.95 -68.86 1.44 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.644 ' O ' HG23 ' A' ' 86' ' ' VAL . 5.9 t -45.13 -47.44 12.19 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -58.36 -34.18 70.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.769 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.075 HG23 ' O ' ' A' ' 80' ' ' VAL . 95.6 t -70.8 -39.21 75.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.43 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -77.56 -8.18 57.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.351 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 82' ' ' CYS . 91.2 t -107.12 -57.51 4.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.96 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -78.07 56.1 1.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.06 24.38 4.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -113.77 -29.72 7.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -127.34 147.37 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -94.76 26.61 3.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -112.94 -65.95 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.488 ' HD2' HD11 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -57.57 -24.31 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.461 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.81 -18.22 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -103.35 16.57 26.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.327 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 93' ' ' LYS . 62.2 m-20 -129.07 -40.44 1.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.96 HD12 ' HB2' ' A' ' 87' ' ' ALA . 20.6 mt -84.5 -49.05 8.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 38.5 p -103.37 -0.8 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.36 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -60.1 149.76 41.27 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.858 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 35.7 m -90.75 -42.54 10.63 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -117.27 135.1 54.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' A' ' 101' ' ' LYS . 0.3 OUTLIER 84.51 -5.79 1.01 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 107' ' ' GLU . 20.4 t -69.99 151.45 45.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 1.026 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.9 OUTLIER -56.48 -43.1 79.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.544 ' O ' HG22 ' A' ' 18' ' ' VAL . 69.4 m -63.73 -54.09 40.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.427 ' ND1' ' HG3' ' A' ' 16' ' ' GLN . 94.2 m-70 -112.61 67.75 0.66 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.72 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.023 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.086 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.026 HMA3 ' HB3' ' A' ' 104' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.999 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.747 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 122.064 0.935 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.747 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 95.2 Cg_exo -47.68 127.46 14.11 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.298 3.332 . . . . 0.0 109.577 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 2' ' ' PRO . 0.1 OUTLIER 87.78 153.27 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -113.17 89.45 14.28 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 70.1 Cg_exo -40.53 162.21 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.327 3.351 . . . . 0.0 109.584 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.19 158.54 19.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -45.21 168.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.96 9.46 8.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.688 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -103.02 126.92 50.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 0.748 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.705 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -136.91 135.13 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -99.87 111.15 23.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 111.052 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.3 OUTLIER -138.91 52.86 1.77 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.92 -15.86 52.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.406 HG23 ' O1D' ' A' ' 111' ' ' HEC . 3.2 p -112.58 -156.59 0.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.4 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -91.0 30.29 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -158.06 104.85 1.73 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 59.4 Cg_endo -83.07 113.44 2.12 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.323 3.349 . . . . 0.0 109.579 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 54.1 t -116.85 118.31 58.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.705 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -84.43 149.39 4.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.688 ' CE1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -150.01 118.83 6.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -103.24 130.12 50.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 29.1 m80 -59.21 -22.76 61.54 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.77 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 p -65.18 -36.21 83.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.994 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.37 0.95 47.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.464 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 70.2 m80 -149.3 50.66 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.743 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.7 pttt -105.65 -3.98 21.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.8 26.68 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 64.3 t -133.64 142.47 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 136.32 58.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.8 m -59.16 -26.38 64.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 108.291 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.96 -4.81 63.46 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -83.01 -34.41 26.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.44 ' HB2' ' C2C' ' A' ' 108' ' ' HEC . 1.2 m -105.55 -49.23 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.274 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -90.73 80.03 5.95 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.793 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.723 ' CE1' HG22 ' A' ' 37' ' ' VAL . 4.3 p80 -70.0 154.86 94.31 Favored Pre-proline 0 CA--C 1.54 0.566 0 O-C-N 124.102 0.876 . . . . 0.0 109.776 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.4 120.41 5.93 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.298 3.332 . . . . 0.0 109.615 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.723 HG22 ' CE1' ' A' ' 35' ' ' HIS . 1.5 t -114.96 149.01 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.371 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 41.45 29.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 64.54 59.12 8.65 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 41' ' ' GLU . 10.5 tttp -179.9 102.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 0.811 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 40' ' ' LYS . 16.2 mt-10 -34.83 123.99 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.58 141.9 45.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD2' ' N ' ' A' ' 1' ' ' ALA . 14.7 m-85 -133.75 22.6 3.92 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.019 -0.992 . . . . 0.0 109.831 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -92.44 172.47 8.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 110.316 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.576 ' O ' HMC3 ' A' ' 109' ' ' HEC . 12.3 mttp -37.77 136.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.5 m -61.44 -45.69 93.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 108.31 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.08 -84.99 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.45 1.094 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER 54.03 167.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 110.407 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.83 119.52 29.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 119.2 -19.73 9.93 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.3 m -114.49 -137.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.018 ' CE1' HG11 ' A' ' 68' ' ' VAL . 66.0 m-70 -63.22 79.24 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.735 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.48 26.49 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.362 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -102.25 117.48 34.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.003 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.2 mtt -132.1 58.68 1.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -128.96 -166.46 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -124.31 93.5 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 57' ' ' LYS . 1.2 mmmt 166.02 -81.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.55 130.57 20.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 7.9 mttt -127.69 9.04 6.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.565 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 2.5 t -56.17 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -75.23 -3.0 30.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -87.99 -30.31 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -53.27 117.09 6.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.479 1.112 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.625 ' CE2' ' O2D' ' A' ' 111' ' ' HEC . 1.9 t80 -64.37 -63.4 1.15 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.996 -0.602 . . . . 0.0 109.819 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.517 ' CD1' ' C ' ' A' ' 66' ' ' TYR . 2.9 p90 -65.38 -8.26 17.77 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 118.936 -0.554 . . . . 0.0 109.832 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.565 ' CD2' ' O ' ' A' ' 61' ' ' SER . 37.8 t60 -84.77 -28.94 25.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.018 HG11 ' CE1' ' A' ' 52' ' ' HIS . 32.6 m -93.91 24.28 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.597 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -159.29 31.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.948 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.515 ' ND1' ' O ' ' A' ' 66' ' ' TYR . 73.1 m80 -157.0 -77.26 0.09 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.72 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -45.12 147.65 0.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.303 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -109.24 -7.87 15.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -88.94 44.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.45 ' HB ' ' CBA' ' A' ' 109' ' ' HEC . 17.9 p -115.91 165.47 13.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.406 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.13 -39.74 87.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.538 ' CE2' ' CG ' ' A' ' 35' ' ' HIS . 10.9 m-30 -113.12 161.58 16.94 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -69.41 158.78 34.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.784 ' O ' HMC3 ' A' ' 110' ' ' HEC . 18.3 p -115.19 -148.9 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.429 ' HA ' ' CHC' ' A' ' 110' ' ' HEC . 76.4 m -105.83 -39.93 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 108.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.042 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.8 t -80.79 -31.43 12.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -57.4 -70.1 1.08 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.541 1.15 . . . . 0.0 110.997 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.987 ' O ' HG23 ' A' ' 86' ' ' VAL . 12.2 t -44.31 -46.59 9.29 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -57.54 -35.97 71.0 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.766 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.042 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.3 t -74.37 -36.44 42.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.455 ' CA ' ' OE1' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -78.91 -9.85 59.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 82' ' ' CYS . 54.8 t -84.74 -49.63 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.75 171.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -146.2 -61.8 0.02 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.03 30.8 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -102.71 125.65 49.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.39 24.57 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.403 ' O ' ' CG ' ' A' ' 96' ' ' ASP . . . -126.1 -52.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.641 ' HD2' HD11 ' A' ' 97' ' ' LEU . 1.3 mmtp -65.03 -28.62 69.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -82.76 4.22 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -126.31 0.67 7.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.403 ' CG ' ' O ' ' A' ' 92' ' ' ALA . 2.1 m-20 -121.03 -27.77 4.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.641 HD11 ' HD2' ' A' ' 93' ' ' LYS . 25.2 mt -94.43 -39.9 10.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 72.5 p -104.43 -0.36 28.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.429 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.2 151.55 49.92 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.74 -19.27 13.48 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 23.8 tptp -129.31 123.5 31.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.9 ttmt 81.14 -2.84 1.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 41.3 t -71.79 157.49 37.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.981 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.0 OUTLIER -57.32 -28.02 62.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 61.0 m -81.57 -72.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 108.302 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -90.76 56.51 3.28 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.76 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.46 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.241 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.998 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.576 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.041 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.703 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.717 ' HB1' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 122.146 0.974 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.717 ' HD2' ' HB1' ' A' ' 1' ' ' ALA . 52.7 Cg_exo -53.39 111.01 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.339 3.359 . . . . 0.0 109.624 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -40.82 135.9 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.29 145.25 37.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -78.95 177.6 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.344 3.363 . . . . 0.0 109.571 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' ASP . . . -79.32 135.28 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -37.33 147.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 140.9 42.84 0.07 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 110.976 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.698 HD21 ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -125.95 128.25 47.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.799 ' CB ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -132.29 138.42 47.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.475 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.2 OUTLIER -110.43 106.92 16.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.6 pt-20 -137.14 51.42 1.96 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.265 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.83 -16.38 55.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.56 HG23 ' O2D' ' A' ' 111' ' ' HEC . 3.8 p -112.97 -160.34 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.423 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 16' ' ' GLN . 5.4 mtmm -91.9 24.06 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HG3' ' C2A' ' A' ' 111' ' ' HEC . 0.0 OUTLIER -147.91 88.9 5.42 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.25 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.06 128.38 18.53 Favored 'Trans proline' 0 N--CA 1.447 -1.206 0 C-N-CA 124.288 3.325 . . . . 0.0 109.595 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.5 t -138.98 115.53 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.799 HG23 ' CB ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.2 147.83 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.698 ' CD1' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -145.41 116.64 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.95 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.61 135.46 34.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' LYS . 22.9 m80 -65.67 -34.14 77.51 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.743 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.8 p -54.4 -53.87 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -58.63 -17.74 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 110.438 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 22' ' ' HIS . 68.3 m80 -129.03 38.63 3.9 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.719 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.621 ' O ' ' CB ' ' A' ' 27' ' ' SER . 2.8 ttpt -93.94 103.01 15.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.621 ' CB ' ' O ' ' A' ' 26' ' ' LYS . 3.2 p 149.67 -44.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.6 t -58.58 133.86 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -49.01 126.18 11.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.4 m -52.8 -24.25 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 108.338 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.64 -3.32 58.49 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 110.976 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -82.71 -33.55 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.449 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.5 m -109.63 -42.89 4.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 108.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -96.81 78.69 2.89 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.768 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.549 ' CE1' HG22 ' A' ' 37' ' ' VAL . 5.6 p80 -72.69 159.62 84.89 Favored Pre-proline 0 CA--C 1.54 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 109.752 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 20.6 Cg_exo -64.54 132.16 32.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.317 3.345 . . . . 0.0 109.619 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.004 HG11 HBC2 ' A' ' 109' ' ' HEC . 5.2 t -135.06 110.48 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 74.23 39.17 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.356 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.99 48.99 64.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -176.53 103.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 0.762 . . . . 0.0 109.297 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.483 ' C ' ' O ' ' A' ' 40' ' ' LYS . 10.4 mt-10 -31.99 126.75 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -110.54 147.33 34.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -136.32 23.44 3.22 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.832 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.8 mtt180 -91.15 169.71 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.652 ' HD3' HG23 ' A' ' 48' ' ' THR . 0.1 OUTLIER -37.23 140.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 55.8 m -61.54 -47.9 83.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 108.303 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.56 -84.45 0.24 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.652 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 53.97 167.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 110.41 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.62 120.52 30.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.03 -14.97 13.67 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.0 m -120.07 -139.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.015 ' CE1' HG11 ' A' ' 68' ' ' VAL . 60.0 m-70 -62.2 74.16 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.764 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.6 p-10 -106.0 24.5 12.28 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -106.87 123.58 48.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 1.7 mtt -130.76 58.04 1.71 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -113.74 171.21 7.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.092 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.49 80.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 171.99 -84.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.226 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -40.39 129.43 2.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 14.3 pttt -122.1 27.48 8.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.54 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 37.6 t -69.53 176.99 3.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.044 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -65.15 -11.99 46.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.26 -14.67 43.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.49 119.45 12.7 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.626 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 3.0 t80 -66.83 -52.91 38.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.988 -0.606 . . . . 0.0 109.829 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.799 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 2.2 t80 -75.59 -0.63 21.12 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 118.93 -0.557 . . . . 0.0 109.824 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 15.2 t60 -98.82 -10.28 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.632 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.015 HG11 ' CE1' ' A' ' 52' ' ' HIS . 24.7 m -110.14 17.97 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.626 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.88 25.81 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.989 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.799 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 80.5 m80 -152.18 -72.02 0.15 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.007 -0.997 . . . . 0.0 109.79 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.643 ' HB3' HG23 ' A' ' 74' ' ' THR . 8.9 t0 -40.22 155.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.44 3.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.68 2.29 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.643 HG23 ' HB3' ' A' ' 71' ' ' ASP . 23.3 p -71.61 165.27 24.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.412 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -40.37 96.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -114.05 156.77 23.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -64.5 158.6 23.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.407 ' OG ' ' C ' ' A' ' 68' ' ' VAL . 1.1 m -117.45 -95.39 0.48 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 67.8 m -152.28 -47.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.342 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.049 ' O ' HG23 ' A' ' 84' ' ' VAL . 49.5 t -71.81 -32.93 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.464 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -55.9 -71.48 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.425 1.078 . . . . 0.0 110.927 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.545 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.9 t -44.04 -46.63 8.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -60.08 -37.07 78.8 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.764 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 80' ' ' VAL . 54.9 t -67.52 -32.97 59.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -82.8 -21.83 34.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 82' ' ' CYS . 64.9 t -90.08 -38.8 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -38.17 -31.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 86' ' ' VAL . . . 54.03 -163.88 2.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 50.46 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 0.764 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.526 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 15.7 t0 -121.72 114.52 21.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.44 26.15 2.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.526 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -115.72 -54.67 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -22.75 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -58.82 -16.45 17.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -106.63 17.85 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.15 -43.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.073 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' O ' HMC1 ' A' ' 111' ' ' HEC . 15.7 mt -78.52 -47.28 17.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 49.9 p -104.84 -2.72 24.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -48.32 158.94 0.75 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.524 1.14 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.883 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 22.6 m -105.54 -40.76 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 7.5 tppt? -123.57 128.92 50.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 0.9 OUTLIER 89.38 -4.91 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 28.4 t -68.46 155.05 40.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.959 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.4 mptp? -55.39 -39.83 70.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 60.5 m -69.92 -59.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 108.341 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -102.44 62.21 0.85 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.969 -1.014 . . . . 0.0 109.739 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.454 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.348 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.013 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.004 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.0 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.883 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.459 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 122.109 0.957 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.839 ' HG2' HMB3 ' A' ' 108' ' ' HEC . 40.9 Cg_endo -91.74 -15.51 1.36 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.361 3.374 . . . . 0.0 109.541 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' O ' ' HD3' ' A' ' 5' ' ' PRO . 3.9 mtmp? 75.34 158.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.38 105.78 55.34 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 3' ' ' LYS . 53.2 Cg_exo -53.28 178.64 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.309 3.339 . . . . 0.0 109.582 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 7' ' ' ASP . . . -86.47 141.91 28.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -43.69 166.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.333 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.02 29.17 2.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -110.5 123.99 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 0.763 . . . . 0.0 109.252 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.898 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -131.53 145.91 51.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.52 ' HE3' HMD1 ' A' ' 108' ' ' HEC . 3.0 mtp -111.63 113.1 25.27 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.518 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 1.5 pt-20 -140.71 54.66 1.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 110.25 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.13 -24.69 34.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.581 HG23 ' O1D' ' A' ' 111' ' ' HEC . 4.0 p -104.82 -159.75 0.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.1 mtmt -90.23 13.29 15.62 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.244 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -135.91 88.91 21.86 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.39 129.53 20.44 Favored 'Trans proline' 0 N--CA 1.446 -1.291 0 C-N-CA 124.326 3.351 . . . . 0.0 109.601 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 55.1 t -136.78 120.86 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.898 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -88.03 152.48 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.599 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -155.35 117.09 4.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 111.041 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.62 134.07 44.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -63.23 -22.69 67.03 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.74 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 p -65.66 -33.76 76.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.15 . . . . 0.0 109.991 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 p -86.47 0.15 54.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.12 . . . . 0.0 110.372 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.4 m80 -147.16 50.02 1.1 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.058 -0.973 . . . . 0.0 109.801 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.77 0.17 25.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.6 m -107.51 26.95 9.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.999 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 50.5 t -134.23 142.21 41.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -58.24 131.53 50.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.2 m -56.15 -24.91 44.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 108.286 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -1.74 60.43 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -83.4 -34.45 25.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.496 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.3 m -106.95 -45.87 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 108.319 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.93 84.31 5.33 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.745 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.49 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 6.4 p80 -82.06 157.54 68.48 Favored Pre-proline 0 CA--C 1.54 0.576 0 O-C-N 124.127 0.892 . . . . 0.0 109.722 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 21.4 Cg_exo -64.2 140.42 71.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.078 HG11 HBC2 ' A' ' 109' ' ' HEC . 3.4 t -136.49 -74.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -88.28 67.07 8.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 38' ' ' ASN . . . 36.1 37.41 0.18 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.038 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.605 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.8 tttt -176.81 105.97 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 0.791 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.605 ' C ' ' O ' ' A' ' 40' ' ' LYS . 35.3 mt-10 -20.46 115.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.523 ' HB2' HG23 ' A' ' 37' ' ' VAL . 1.1 m-20 -94.52 149.53 21.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -135.29 24.31 3.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.803 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.437 ' O ' ' C ' ' A' ' 45' ' ' LYS . 3.1 mtt180 -91.97 168.95 11.04 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.773 ' HD3' HG23 ' A' ' 48' ' ' THR . 1.8 mptp? -37.54 140.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 56.8 m -60.89 -46.63 89.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 108.368 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -74.26 -85.18 0.28 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.773 HG23 ' HD3' ' A' ' 45' ' ' LYS . 0.2 OUTLIER 54.32 167.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.373 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.64 122.07 30.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 116.79 -21.04 11.52 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.1 m -114.18 -139.02 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.959 ' CE1' HG11 ' A' ' 68' ' ' VAL . 62.7 m-70 -61.8 77.87 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.747 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.1 p-10 -108.09 24.77 12.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.7 124.39 51.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.516 ' SD ' HG22 ' A' ' 14' ' ' THR . 3.2 mtt -132.47 58.95 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -122.75 -169.86 1.99 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 58' ' ' LYS . 1.1 tptm -129.81 93.07 3.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER 168.46 -61.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.74 122.51 19.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 67' ' ' HIS . 8.4 mttm -115.34 27.94 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.529 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 3.1 t -74.28 -174.06 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.032 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.33 -4.92 36.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -92.02 -11.61 35.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 68' ' ' VAL . . . -71.45 117.21 6.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.593 ' CE1' ' CE ' ' A' ' 69' ' ' MET . 2.5 t80 -65.71 -56.39 12.33 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.013 -0.594 . . . . 0.0 109.842 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.789 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 0.7 OUTLIER -72.86 -1.99 18.92 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 118.891 -0.576 . . . . 0.0 109.821 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.596 ' CE1' ' O ' ' A' ' 60' ' ' LYS . 21.2 t60 -97.93 -11.06 23.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.62 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.959 HG11 ' CE1' ' A' ' 52' ' ' HIS . 28.1 m -109.8 20.47 5.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.593 ' CE ' ' CE1' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -155.68 29.59 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.789 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 74.1 m80 -153.61 -76.55 0.12 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.735 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -45.94 153.9 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -114.58 -10.79 12.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -88.51 44.79 1.23 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.6 p -115.8 166.17 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.427 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.5 90.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -113.82 156.87 23.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -64.88 158.15 25.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.65 ' O ' HMC3 ' A' ' 110' ' ' HEC . 16.1 p -114.64 -149.12 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.034 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 79.5 m -105.28 -40.42 5.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 108.322 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.043 ' O ' HG23 ' A' ' 84' ' ' VAL . 74.4 t -80.58 -31.0 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -56.02 -71.7 0.69 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.721 ' O ' HG23 ' A' ' 86' ' ' VAL . 8.2 t -43.95 -47.09 8.47 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -57.97 -36.14 72.17 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.034 -0.984 . . . . 0.0 109.801 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.043 HG23 ' O ' ' A' ' 80' ' ' VAL . 78.5 t -69.87 -41.52 79.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.88 -2.31 26.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 82' ' ' CYS . 98.4 t -113.87 -58.6 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 1.02 ' HB2' HD12 ' A' ' 97' ' ' LEU . . . -77.84 56.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.171 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -129.44 25.72 4.47 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.82 -30.99 6.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.462 ' OD2' ' HB3' ' A' ' 92' ' ' ALA . 17.8 t0 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.77 28.14 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.462 ' HB3' ' OD2' ' A' ' 90' ' ' ASP . . . -113.51 -62.42 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.806 ' HD2' HD11 ' A' ' 97' ' ' LEU . 4.4 ttmm -62.1 -23.69 66.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -56.52 -17.08 7.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.57 15.68 28.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.67 -43.63 1.24 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.02 HD12 ' HB2' ' A' ' 87' ' ' ALA . 12.5 mt -80.62 -45.75 16.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 44.7 p -108.3 3.65 23.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.427 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.24 157.62 18.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.879 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 33.3 m -102.02 -41.87 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.469 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 2.0 tptp -120.93 133.15 55.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.469 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 5.0 tptt 86.34 -7.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 107' ' ' GLU . 26.4 t -65.9 158.7 27.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.985 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 1.4 mptp? -60.6 -42.34 96.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 33.0 m -67.63 -56.89 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.36 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -107.46 65.37 0.65 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.761 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.488 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 0.997 HMC1 HBC3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 1.078 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 1.043 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 0.879 HMB1 ' SG ' ' A' ' 100' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 122.036 0.922 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.455 ' O ' ' CMB' ' A' ' 108' ' ' HEC . 94.7 Cg_exo -44.59 144.65 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.294 3.329 . . . . 0.0 109.609 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 4' ' ' ALA . 2.7 mmmt -65.74 143.06 57.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 3' ' ' LYS . . . -38.43 101.59 0.23 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' HG2' ' C3A' ' A' ' 108' ' ' HEC . 63.6 Cg_exo -43.83 162.24 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.317 3.345 . . . . 0.0 109.586 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.91 140.38 43.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.87 167.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.29 23.02 4.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.133 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD21 ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -108.24 124.0 49.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.915 ' HB3' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -133.2 135.42 45.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.479 ' SD ' ' CGD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -101.41 116.99 34.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.969 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.499 ' CB ' ' HB3' ' A' ' 17' ' ' PRO . 0.7 OUTLIER -146.21 56.83 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -80.74 -34.9 34.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.572 HG23 ' O1D' ' A' ' 111' ' ' HEC . 3.2 p -91.69 -156.93 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.393 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' HB2' ' NE2' ' A' ' 16' ' ' GLN . 0.8 OUTLIER -91.11 24.48 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -150.17 105.36 3.16 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HB3' ' CB ' ' A' ' 12' ' ' GLU . 88.9 Cg_endo -81.12 131.4 7.79 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.303 3.336 . . . . 0.0 109.632 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 62.0 t -135.85 113.16 14.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.348 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.915 HG23 ' HB3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -80.92 149.85 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.269 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.622 ' CZ ' ' CHD' ' A' ' 108' ' ' HEC . 0.1 OUTLIER -151.41 118.51 5.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' O ' ' OG1' ' A' ' 24' ' ' THR . 5.8 m120 -96.53 135.51 38.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -66.76 -29.8 69.85 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.783 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.5 p -64.21 -34.54 78.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.934 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 21' ' ' ASN . 15.8 p -84.35 5.16 28.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.401 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.496 ' HB3' HBC2 ' A' ' 108' ' ' HEC . 80.0 m80 -151.17 51.27 0.84 Allowed 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.765 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.99 -20.59 14.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 t -93.77 40.46 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.028 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 38.2 t -135.59 144.06 34.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.22 118.48 1.93 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 13.3 t -54.7 -20.5 8.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 108.305 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -98.59 14.2 62.12 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.6 -37.65 16.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' HBB2 ' A' ' 109' ' ' HEC . 1.4 m -97.08 -47.95 5.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.287 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -93.22 78.55 4.52 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.787 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CE1' HG22 ' A' ' 37' ' ' VAL . 3.6 p80 -71.67 159.97 83.95 Favored Pre-proline 0 CA--C 1.54 0.573 0 O-C-N 124.08 0.863 . . . . 0.0 109.708 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 35' ' ' HIS . 23.0 Cg_exo -63.49 132.1 34.36 Favored 'Trans proline' 0 N--CA 1.448 -1.187 0 C-N-CA 124.265 3.31 . . . . 0.0 109.601 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.995 HG11 HBC2 ' A' ' 109' ' ' HEC . 11.4 t -138.1 122.99 23.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.567 ' ND2' HG12 ' A' ' 37' ' ' VAL . 0.5 OUTLIER 63.46 38.8 9.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 52.98 58.23 12.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.47 1.106 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' GLU . 2.0 ttmm 171.62 102.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 0.773 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 40' ' ' LYS . 8.5 mt-10 -28.72 127.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -112.13 147.57 35.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -135.43 25.08 3.48 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.017 -0.992 . . . . 0.0 109.806 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 45' ' ' LYS . 26.3 mtm180 -92.34 169.28 10.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.637 ' O ' HMC3 ' A' ' 109' ' ' HEC . 20.6 mttt -37.64 141.2 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.6 m -60.95 -48.77 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 108.333 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 48' ' ' THR . . . -72.29 -85.43 0.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.421 ' O ' ' O ' ' A' ' 47' ' ' GLY . 0.2 OUTLIER 54.33 166.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 0.0 110.386 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.56 120.44 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.66 -14.79 12.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -121.02 -139.83 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.939 ' CE1' HG11 ' A' ' 68' ' ' VAL . 59.1 m-70 -61.59 75.38 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.752 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 51' ' ' CYS . 3.5 p-10 -105.34 23.63 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 t -111.01 124.52 52.32 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.532 ' SD ' HG22 ' A' ' 14' ' ' THR . 3.0 mtt -129.26 57.47 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -123.65 169.71 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.567 ' HE2' ' CE1' ' A' ' 66' ' ' TYR . 2.4 tptp -123.7 92.04 3.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 57' ' ' LYS . 1.4 mtpt 164.28 -36.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -113.37 94.99 5.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 61' ' ' SER . 0.0 OUTLIER -68.89 -119.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.598 ' O ' ' CD2' ' A' ' 67' ' ' HIS . 1.5 m 84.85 173.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.528 ' O ' ' CE1' ' A' ' 52' ' ' HIS . . . -73.13 -4.71 34.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 -14.7 26.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.14 118.64 8.86 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.59 ' O ' ' CG ' ' A' ' 69' ' ' MET . 2.5 t80 -66.34 -54.09 28.62 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.006 -0.597 . . . . 0.0 109.804 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.806 ' CD2' ' CE1' ' A' ' 70' ' ' HIS . 1.9 t80 -74.79 -0.3 17.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.89 -0.576 . . . . 0.0 109.826 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 61' ' ' SER . 16.0 t60 -100.03 -7.49 24.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.584 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.939 HG11 ' CE1' ' A' ' 52' ' ' HIS . 30.6 m -113.42 18.06 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.59 ' CG ' ' O ' ' A' ' 65' ' ' TYR . 0.0 OUTLIER -151.96 26.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.806 ' CE1' ' CD2' ' A' ' 66' ' ' TYR . 79.7 m80 -151.99 -80.92 0.1 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.747 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -40.72 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.45 -8.98 12.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -88.01 45.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 p -118.29 165.25 14.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.383 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -40.61 93.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.581 ' O ' HMA2 ' A' ' 109' ' ' HEC . 54.8 m-85 -118.11 150.2 39.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -60.23 157.3 13.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 m -111.88 -95.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 82.9 m -153.69 -47.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.111 . . . . 0.0 108.318 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.064 HG22 HMC2 ' A' ' 111' ' ' HEC . 56.1 t -71.18 -36.37 62.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 84' ' ' VAL . . . -52.44 -69.69 1.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.476 ' O ' HG23 ' A' ' 86' ' ' VAL . 4.7 t -44.25 -47.8 9.39 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.4 ' O ' ' N ' ' A' ' 87' ' ' ALA . 11.3 m170 -58.95 -36.46 74.83 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.771 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.054 HG23 ' O ' ' A' ' 80' ' ' VAL . 97.4 t -67.22 -31.38 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -85.2 -22.56 28.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 82' ' ' CYS . 65.3 t -89.38 -34.64 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 86' ' ' VAL . . . -38.66 -31.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 86' ' ' VAL . . . 53.06 -165.35 1.69 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.76 49.96 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 0.789 . . . . 0.0 109.308 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.752 ' OD1' ' HB3' ' A' ' 92' ' ' ALA . 6.6 t70 -123.75 116.08 22.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.57 27.13 2.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.752 ' HB3' ' OD1' ' A' ' 90' ' ' ASP . . . -116.28 -50.28 2.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.692 ' NZ ' HD11 ' A' ' 97' ' ' LEU . 19.0 mtpp -78.48 -20.08 51.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -67.85 -8.75 38.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.5 15.95 19.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -135.32 -44.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.692 HD11 ' NZ ' ' A' ' 93' ' ' LYS . 15.9 mt -75.94 -41.19 52.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 53.0 p -109.07 2.22 21.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -52.96 159.86 3.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.874 ' SG ' HMB1 ' A' ' 111' ' ' HEC . 9.8 m -106.19 -38.09 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 102' ' ' LYS . 12.1 tptp -124.36 127.11 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 4.0 tptm 85.13 -1.11 0.84 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 t -63.2 159.88 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.99 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.989 ' HB3' HMA3 ' A' ' 110' ' ' HEC . 0.0 OUTLIER -57.89 -39.55 78.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.72 -44.92 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 108.264 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -112.05 67.14 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.735 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.29 179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HEC . . . . . 1.044 HMB1 HBB3 ' A' ' 108' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HEC . . . . . 0.995 HBC2 HG11 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HEC . . . . . 0.99 HMC1 HBC3 ' A' ' 110' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HEC . . . . . 1.064 HMC2 HG22 ' A' ' 80' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_