data_2ldo_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 2ldo _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 ' 2' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.11 118.34 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.92 128.83 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.49 121.43 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.64 99.94 11.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 137.31 30.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.15 140.32 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 4.01 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -129.65 27.5 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.26 118.48 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.38 156.32 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 125.9 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 110.01 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -111.31 122.24 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.51 95.96 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.255 3.303 . . . . 0.0 109.547 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.0 t-80 -80.2 50.52 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 4.7 tttt -140.35 -68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.45 -24.4 20.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -77.46 -0.17 24.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.4 mt-30 -94.39 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -67.26 -26.66 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.69 -27.79 31.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -140.61 63.24 20.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.5 Cg_exo -41.04 -26.66 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.292 3.328 . . . . 0.0 109.601 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.64 115.53 18.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.58 -17.16 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 21.4 mttt -75.73 -5.24 44.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -53.38 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -94.55 -53.17 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.6 m-70 -71.31 105.25 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.88 -49.56 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -91.89 31.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.02 169.94 46.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.04 141.31 79.5 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 0.0 109.598 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.7 -165.89 25.74 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 151.48 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -107.71 119.11 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.25 132.41 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 104.72 -39.18 2.93 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 52.2 t80 -33.61 150.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.47 -160.39 27.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.1 tttt -57.95 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.93 -37.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -69.31 -56.5 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -53.1 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.9 m170 -69.49 -34.56 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.29 -133.18 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 17.9 mtpt -86.83 37.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.71 -50.33 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -128.3 -86.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.6 mtmp? -42.19 -52.3 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -28.63 -64.84 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 47.5 t -58.74 -50.56 73.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.5 m170 -45.76 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.98 -21.06 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -60.31 -52.3 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -101.3 2.45 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.25 5.7 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.6 mmtt -102.39 148.07 25.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.44 162.88 37.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.55 121.99 9.54 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.324 3.35 . . . . 0.0 109.595 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.429 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 81.6 p -121.54 -8.83 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 157.0 16.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.98 157.69 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.346 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -34.44 3.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -72.95 -18.56 61.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.11 -49.1 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.32 104.61 16.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 116.03 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.72 117.32 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 mt -130.49 128.75 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -98.31 121.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.8 mt -99.06 98.27 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 134.35 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.75 135.06 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -5.78 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.36 31.6 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.77 126.0 5.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -61.9 156.41 20.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.12 123.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.64 20.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -110.54 122.74 37.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.6 93.4 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 60.2 t-80 -78.46 51.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.584 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.3 tttp -141.32 -68.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.04 -25.58 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -76.1 -1.33 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.598 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.0 mt-30 -93.67 -52.01 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -67.88 -26.89 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.12 -28.36 29.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.445 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.6 t -139.38 62.45 24.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.3 Cg_exo -40.5 -27.24 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.325 3.35 . . . . 0.0 109.597 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -78.53 113.6 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.76 -15.65 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.6 mtmp? -76.87 -5.17 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -51.84 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -95.77 -53.1 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 108.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.87 103.01 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -83.53 -49.96 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -91.45 31.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.63 170.94 47.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -54.62 140.89 75.91 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.336 3.358 . . . . 0.0 109.56 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.2 -164.47 26.52 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -72.05 150.82 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.63 118.93 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -84.36 133.79 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.27 -36.93 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 70.6 t80 -38.12 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.42 -153.41 23.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.7 tttt -60.95 -78.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.87 -36.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.3 -57.54 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.12 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.1 m170 -70.92 -34.15 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.56 -134.96 0.35 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 4.0 mttp -86.28 39.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.03 -54.58 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.1 m -123.47 -85.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.462 ' CD ' ' HA ' ' A' ' 63' ' ' THR . 9.5 mtmm -42.49 -49.07 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.79 -67.49 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 11.3 t -55.29 -44.91 76.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.3 m170 -53.49 -71.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -55.4 -21.79 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 3.7 mm-40 -63.07 -52.8 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mmm -96.62 2.11 51.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 72.17 5.49 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.47 165.31 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.3 159.46 9.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.16 122.5 10.5 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.297 3.331 . . . . 0.0 109.627 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.462 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 43.8 p -120.51 -9.54 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.05 156.12 16.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.39 157.85 37.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.44 3.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.2 -19.35 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.28 -48.6 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.13 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -115.9 115.65 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.46 115.53 7.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.8 mt -128.9 128.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.94 121.03 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -98.19 95.8 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 135.57 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.25 141.23 27.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -78.93 3.69 16.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -132.14 29.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.0 121.95 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -58.71 156.53 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.71 122.0 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.01 109.17 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -109.88 122.94 37.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.55 93.7 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.285 3.324 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.0 t-80 -78.9 50.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 12.2 tttt -140.51 -68.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.01 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.67 0.04 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' PRO . 68.9 mt-30 -94.21 -53.15 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -67.41 -27.17 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.1 -28.54 32.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.6 t -139.44 62.59 24.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.0 Cg_exo -40.35 -27.11 0.24 Allowed 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.317 3.344 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.99 118.05 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.32 -18.31 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.252 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.8 mmmt -74.53 -4.87 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.47 -54.74 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -93.67 -53.02 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.0 m-70 -70.79 113.14 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.566 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -47.81 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -92.15 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.12 173.83 39.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.89 141.01 95.77 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.324 3.349 . . . . 0.0 109.669 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.29 -164.77 25.87 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 147.66 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.5 mt -103.26 119.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.52 131.18 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.91 -39.32 2.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.1 t80 -33.67 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.04 -160.5 28.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -57.94 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.99 -36.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.5 -56.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.31 -52.25 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.0 m170 -70.93 -34.26 71.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.0 -134.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -87.08 38.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.38 -55.12 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.5 m -123.57 -85.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -41.77 -48.65 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.21 -69.61 0.15 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 22.7 t -53.68 -44.76 69.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 45.6 m170 -53.09 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.04 -22.99 43.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 23.1 tt0 -67.34 -54.79 17.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.6 mmm -86.09 -7.4 58.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.99 14.02 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 43.5 mttm -119.7 145.86 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.81 166.97 33.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.97 123.02 9.92 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.282 3.322 . . . . 0.0 109.575 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.456 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 44.5 p -123.45 -8.09 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -95.04 156.37 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.88 157.85 36.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.77 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -72.65 -19.95 61.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.59 -48.75 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.01 101.9 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.629 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -106.42 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.64 116.88 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.52 128.76 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -99.78 121.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt -98.85 97.56 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 135.72 25.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.45 134.98 20.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -6.61 36.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -119.9 29.18 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.29 124.51 5.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -60.44 156.12 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -119.9 121.35 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 107.32 18.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -107.25 122.71 40.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -86.7 93.78 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.353 3.369 . . . . 0.0 109.581 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.521 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.2 t-80 -79.48 49.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' CD ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -138.56 -68.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.97 -24.84 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -76.24 -1.49 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' PRO . 88.6 mt-30 -93.83 -52.92 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -67.19 -26.68 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.89 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 54.9 t -139.22 62.61 26.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' GLN . 68.8 Cg_exo -40.18 -27.34 0.23 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.345 3.363 . . . . 0.0 109.587 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.48 115.46 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.64 -16.19 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 12.5 mttp -76.84 -4.5 43.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -67.94 -52.04 40.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -95.76 -53.5 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.7 m-70 -70.84 109.49 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.88 -55.72 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.18 0.78 26.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.0 170.1 17.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.44 137.55 39.78 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.357 3.371 . . . . 0.0 109.556 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.22 -167.88 25.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 147.07 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -104.2 119.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 134.52 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.2 -37.07 3.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' GLY . 74.9 t80 -37.68 158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.4 -154.67 25.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -60.4 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.7 -36.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.14 -57.54 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.02 42.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.58 -136.6 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -85.03 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.18 -52.3 0.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.3 m -124.7 -86.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 53' ' ' GLY . 5.1 mtmp? -43.66 -51.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.54 -63.58 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.6 t -59.02 -50.45 74.03 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LYS . 57.0 m170 -46.15 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.52 -20.98 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tp10 -61.12 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mmm -99.46 4.91 46.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.17 2.46 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' O ' ' CA ' ' A' ' 55' ' ' HIS . 8.0 mmtt -99.5 166.66 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.36 156.02 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.75 122.69 11.1 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.368 3.378 . . . . 0.0 109.571 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.454 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 45.4 p -119.85 -9.99 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.06 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.28 157.7 37.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.21 3.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -72.61 -18.85 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.27 -49.35 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -87.17 101.54 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -113.66 116.38 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tptt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.36 117.26 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -129.16 128.73 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -98.5 121.1 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -98.27 100.79 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 138.07 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.92 141.41 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 2.75 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.417 HD22 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -134.17 32.72 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.34 123.44 5.27 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.95 157.4 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -119.22 125.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.34 109.43 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -109.97 122.85 37.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.62 96.2 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.336 3.357 . . . . 0.0 109.619 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.1 t-80 -80.58 48.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 34.0 tptt -139.25 -68.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.11 -24.81 19.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -76.8 -0.71 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' PRO . 87.5 mt-30 -94.04 -53.63 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -67.43 -26.42 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -28.07 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.1 t -140.52 63.43 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLN . 72.8 Cg_exo -41.33 -26.52 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.314 3.343 . . . . 0.0 109.631 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 65.3 t0 -79.13 114.13 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.31 -16.64 39.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 8.3 mttt -75.94 -5.16 44.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -53.74 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -93.98 -53.25 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.48 106.44 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.555 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.53 -49.85 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -92.53 30.3 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.59 171.29 47.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.03 140.87 69.52 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.324 3.349 . . . . 0.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.79 -164.1 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.1 148.09 44.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.99 119.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.43 135.59 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.37 -36.32 4.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.6 t80 -37.85 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.72 -155.57 27.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.0 tttt -59.97 -78.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.82 -37.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -69.69 -57.24 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.66 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.7 m170 -69.95 -34.49 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.19 -135.76 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.5 pttp -85.52 38.86 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.25 -50.98 0.69 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -126.35 -86.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -42.83 -51.81 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.04 -64.37 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 44.6 t -59.06 -50.39 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.4 m170 -45.73 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.649 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.67 -21.49 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.0 tp10 -60.19 -52.26 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.45 4.51 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.29 7.61 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -103.95 147.82 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.5 164.37 39.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.75 122.06 9.58 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.265 3.31 . . . . 0.0 109.636 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.414 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 60.1 p -122.13 -8.64 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.51 157.52 16.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.34 158.49 34.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 108.257 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.83 -34.68 3.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.33 -18.86 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.04 -49.04 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.417 ' CD2' HD22 ' A' ' 10' ' ' ASN . 96.9 m-70 -87.38 103.47 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -113.08 116.35 29.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.99 115.71 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.3 mt -130.64 128.6 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -100.03 121.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -98.75 92.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 135.21 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.35 141.39 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 2.86 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -130.63 28.95 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.03 120.38 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -56.44 156.13 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.41 121.08 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -86.36 106.1 17.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -106.06 123.09 40.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -86.6 94.97 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 0.0 109.637 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.4 t-80 -80.16 48.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.616 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -137.47 -69.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.65 -24.21 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -77.27 0.12 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.618 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.4 mt-30 -95.07 -54.19 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -67.75 -25.97 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.9 -27.98 30.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -140.73 63.33 19.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.5 Cg_exo -41.03 -27.07 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.267 3.311 . . . . 0.0 109.624 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.64 114.06 17.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.34 -16.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -75.97 -5.57 46.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -66.96 -52.09 47.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 m -95.99 -53.41 3.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.0 m-70 -71.13 102.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -50.33 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -91.77 31.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.68 175.96 50.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -57.41 140.62 93.67 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.364 3.376 . . . . 0.0 109.565 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.34 -170.91 23.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 146.69 54.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.53 118.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -84.2 134.14 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.32 -36.57 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' GLY . 52.5 t80 -38.27 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.9 -157.42 29.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -59.3 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.7 tpt -69.48 -57.41 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.59 -52.96 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.6 m170 -69.69 -34.53 74.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.37 -135.32 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 2.9 tptt -85.55 39.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.59 -52.4 0.62 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -124.92 -86.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 mtmp? -43.14 -51.41 5.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.27 -64.38 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.9 t -59.11 -50.29 74.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.7 m170 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.15 -21.07 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.9 tp10 -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mmm -101.21 4.25 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.63 7.56 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 11.3 mmtm -104.83 147.4 27.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.08 164.35 37.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.51 121.89 9.22 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.332 3.355 . . . . 0.0 109.626 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -121.96 -8.54 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.75 157.01 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.84 157.55 37.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 108.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.14 -34.38 3.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.97 -18.59 61.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 -49.08 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.32 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -110.32 116.87 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.54 118.46 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 mt -132.97 128.27 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -101.31 120.88 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -97.81 97.0 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -50.23 134.66 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.22 140.55 24.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 3.91 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -127.98 25.66 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.57 117.13 4.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -53.1 155.97 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.26 121.51 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.85 107.05 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -109.36 118.51 50.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -83.01 94.65 0.83 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.288 3.325 . . . . 0.0 109.613 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.29 51.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' GLN . 21.2 tttt -142.09 -67.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.84 -22.49 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -80.74 3.41 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.8 mt-30 -96.49 -53.91 3.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -66.89 -25.83 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.49 -30.0 30.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.0 t -137.77 62.17 33.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 66.4 Cg_exo -39.78 -27.64 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.358 3.372 . . . . 0.0 109.573 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.7 t70 -80.8 112.24 18.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.42 -13.45 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 10.1 mmtt -77.94 -4.14 45.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -67.99 -48.63 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -100.02 -53.51 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.2 m-70 -70.88 103.74 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -49.37 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.8 31.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.32 170.6 47.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.55 141.34 74.23 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.32 3.346 . . . . 0.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -168.9 24.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 151.14 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.3 mt -108.11 119.11 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 134.0 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.99 -36.92 3.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 40' ' ' GLY . 82.9 t80 -38.2 159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.87 -153.97 24.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.2 ttmt -60.35 -78.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.81 -36.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.67 -57.83 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.4 -52.1 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.14 -136.04 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.36 41.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -111.92 -55.05 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.84 -85.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -42.79 -48.24 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.48 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 13.7 t -54.39 -44.29 72.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 47.7 m170 -53.93 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -56.13 -22.63 29.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 27.7 tt0 -68.81 -54.93 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.1 mmm -85.21 -8.08 58.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 72.95 14.39 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -120.84 145.42 47.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.71 167.62 32.25 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.45 123.4 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.32 3.347 . . . . 0.0 109.622 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.2 p -123.44 -7.93 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -96.51 156.95 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.03 158.1 36.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.75 -34.91 3.59 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.49 -19.12 61.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.3 -49.14 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.16 104.29 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -116.15 116.75 28.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 116.52 4.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mt -132.35 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.91 121.01 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.7 mt -99.24 98.5 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 132.77 24.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.55 139.26 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.12 1.8 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -131.85 31.63 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 123.95 5.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.49 155.68 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.0 t -118.79 118.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 101.93 12.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.403 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 39.2 t80 -101.47 124.04 42.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 80.1 Cg_endo -86.29 93.75 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.502 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 59.2 t-80 -79.71 50.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.607 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -141.22 -68.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -53.64 -22.17 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -80.75 3.56 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.1 mt-30 -94.41 -54.44 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -29.98 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -29.79 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 46.6 t -138.67 61.94 26.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.6 Cg_exo -40.65 -26.62 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.299 3.333 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.6 t70 -81.28 113.36 19.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.55 -14.39 52.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -77.03 -4.32 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.0 mmtt -68.51 -50.57 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 m -97.76 -53.48 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.3 m-70 -71.64 102.88 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.31 -49.61 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -91.43 30.59 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.93 173.38 49.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -55.98 141.03 86.85 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.308 3.339 . . . . 0.0 109.596 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -171.01 23.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 150.21 48.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -107.03 119.55 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.35 -37.56 3.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 73.0 t80 -38.44 160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.93 -154.85 25.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.564 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -59.94 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.98 -36.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.61 -57.78 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.23 -52.51 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -71.32 -33.96 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.69 -137.01 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 11.9 tttm -84.18 42.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.11 -54.99 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.1 m -121.97 -86.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 mtmp? -44.1 -49.8 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.98 -65.26 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.7 t -57.88 -48.0 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 58.7 m170 -48.16 -72.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.01 -21.57 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -61.08 -51.98 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mmm -100.53 3.89 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? 68.26 8.1 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -105.75 147.18 28.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 165.95 37.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.03 121.89 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 0.0 109.596 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.7 p -121.53 -8.83 9.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 157.4 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.21 158.64 36.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.67 -34.77 3.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.71 -18.93 61.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.61 -48.86 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.89 102.67 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 116.42 31.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 119.37 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mt -130.31 129.03 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -95.72 121.5 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 mt -99.49 96.62 7.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 136.42 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.03 140.09 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 3.42 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.92 28.72 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.19 117.94 4.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.82 155.69 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.88 122.66 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 108.24 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -109.62 122.43 39.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.72 97.21 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 62.7 t-80 -81.19 48.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.619 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 20.7 tttt -138.13 -68.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.23 -23.36 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -78.47 0.79 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' PRO . 65.6 mt-30 -95.41 -53.68 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -67.03 -26.62 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.34 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 57.0 t -138.56 62.14 27.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 64.1 Cg_exo -39.46 -27.97 0.18 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.326 3.351 . . . . 0.0 109.639 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.4 t70 -80.1 114.41 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 m -83.77 -14.22 52.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.3 mtmt -77.73 -4.05 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -68.32 -48.19 65.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -100.35 -54.04 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.86 110.81 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.89 -48.28 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.16 26.26 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.24 174.22 42.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.09 143.25 96.84 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.362 3.375 . . . . 0.0 109.583 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.25 -164.49 25.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 152.06 44.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.19 119.15 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.17 134.97 35.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.6 -36.79 3.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' GLY . 71.0 t80 -38.5 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 -154.69 25.69 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.6 tttt -60.16 -78.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.62 -36.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.32 -57.81 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.06 -52.55 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.78 -137.13 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -84.18 42.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -113.34 -53.98 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.6 m -123.33 -85.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' GLY . 4.1 mtmp? -45.04 -50.88 10.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.95 -64.18 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 45.2 t -58.97 -49.68 76.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.5 m170 -46.36 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.9 -20.96 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.6 tp10 -60.58 -52.17 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.37 4.65 41.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.34 7.63 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 mmtt -104.45 147.58 27.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.53 163.91 37.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.32 122.65 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.327 3.351 . . . . 0.0 109.572 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.0 p -122.48 -8.43 8.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -97.28 156.71 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 157.46 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.48 3.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.76 -18.96 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.67 -48.8 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.64 105.13 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -116.41 116.38 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 116.72 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.4 mt -129.48 127.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.75 121.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.0 mt -100.07 100.78 11.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.64 135.27 46.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.3 145.81 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 7.09 13.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.45 HD22 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -138.23 31.86 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.61 123.04 5.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.65 157.3 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.35 123.21 71.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 104.86 17.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.0 t80 -105.92 123.65 38.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 82.4 Cg_endo -87.23 94.15 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.325 3.35 . . . . 0.0 109.571 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.6 t-80 -79.33 50.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.568 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.6 tttt -140.9 -68.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -22.17 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -79.66 1.87 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 57.5 mt-30 -96.05 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -26.35 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.95 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.432 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.5 t -137.56 62.23 34.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLN . 63.1 Cg_exo -39.49 -27.89 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.321 3.347 . . . . 0.0 109.579 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' VAL . 28.8 t70 -80.59 113.37 18.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.78 -14.15 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 3.8 mtmm -77.38 -3.94 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -49.54 61.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.21 -53.82 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.1 m-70 -70.01 108.18 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.59 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.56 -55.39 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.64 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 169.83 18.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.37 139.01 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.296 3.331 . . . . 0.0 109.579 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.79 -164.46 25.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 147.89 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -104.0 119.06 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 133.84 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 102.94 -38.44 3.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.9 t80 -34.26 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.22 -162.52 32.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -56.75 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.63 -36.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.16 -56.85 5.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.0 -52.68 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.8 m170 -70.15 -34.58 73.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.57 -132.88 0.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 10.1 ttpp -86.93 38.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.77 -54.49 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.36 -86.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.9 mtmp? -41.6 -48.66 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -67.28 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 13.9 t -55.69 -44.16 77.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.7 m170 -53.86 -71.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.58 -21.56 10.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 2.8 mm-40 -62.5 -51.88 65.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmm -98.64 0.56 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -105.61 148.17 27.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.85 164.77 38.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.41 123.37 11.05 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.272 3.315 . . . . 0.0 109.627 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.3 p -122.93 -8.46 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -97.21 156.51 16.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.4 157.99 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 108.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.7 -34.56 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.4 -18.07 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -113.8 -49.69 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.45 ' CD2' HD22 ' A' ' 10' ' ' ASN . 96.9 m-70 -86.84 100.47 12.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 116.2 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.89 118.26 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -132.01 128.59 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.9 t -100.32 121.05 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 mt -97.76 94.7 7.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 137.78 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.22 136.24 18.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -72.15 -4.37 28.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -121.71 28.02 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 124.33 5.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.82 156.61 16.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -120.99 119.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -83.89 108.75 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -110.2 118.28 49.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -83.11 96.33 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.325 3.35 . . . . 0.0 109.589 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.476 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 62.3 t-80 -79.27 49.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -140.32 -66.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.42 -24.03 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.16 2.4 24.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' LYS . 83.5 mt-30 -96.59 -53.79 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -67.9 -24.62 65.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.87 -30.33 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.439 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.9 t -138.28 63.87 37.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 74.1 Cg_exo -41.72 -26.19 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.287 3.324 . . . . 0.0 109.609 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.1 t0 -78.58 112.15 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.97 -17.19 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.5 mttp -75.43 -6.14 48.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.92 -53.3 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.2 -52.6 4.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 108.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.4 m-70 -72.94 100.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 -50.43 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -91.71 31.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.07 172.2 48.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -52.39 141.62 50.21 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.34 . . . . 0.0 109.555 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.07 -178.59 19.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 148.17 35.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.15 118.6 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -85.06 129.1 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.21 -40.44 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 68.0 t80 -33.83 150.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.62 -160.52 29.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.506 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.1 tttt -57.76 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.35 -37.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' CA ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -70.16 -57.39 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.8 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.506 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.6 m170 -71.24 -34.25 70.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.45 -133.28 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -86.06 38.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.461 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.58 -53.23 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.0 m -125.59 -85.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -42.5 -49.28 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.42 -66.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 9.0 t -55.89 -45.13 78.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 45.8 m170 -53.23 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.18 -21.97 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.9 mm-40 -64.53 -52.88 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 mmm -95.1 -3.28 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 72.43 9.96 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.4 mmpt? -109.3 147.28 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.05 165.26 38.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.61 121.76 9.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.317 3.345 . . . . 0.0 109.621 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.0 p -121.1 -9.28 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -97.48 157.0 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 159.2 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.6 -34.78 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.62 -20.25 61.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.48 -48.38 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.32 101.16 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.98 116.04 29.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.84 115.77 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mt -128.7 128.13 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.54 120.41 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -97.25 95.97 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 135.08 25.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.95 137.64 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -74.19 -1.98 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -124.32 28.19 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.74 123.75 5.29 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.78 156.25 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.34 117.77 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' H ' ' NZ ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -85.21 106.89 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.401 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.8 t80 -106.38 123.51 38.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 98.6 Cg_endo -86.28 95.66 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.256 3.304 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.7 t-80 -80.53 47.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -139.04 -67.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.28 -23.59 15.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.03 1.43 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' PRO . 70.7 mt-30 -95.19 -53.89 3.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -66.7 -26.5 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.6 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.437 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.8 t -138.05 62.43 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLN . 67.7 Cg_exo -40.15 -27.24 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 23.7 t70 -80.44 113.6 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.06 -13.41 53.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 34.2 mttt -78.63 -3.16 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.1 mmtm -69.28 -49.78 52.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -97.97 -53.58 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.413 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.3 108.24 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -88.1 -48.91 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -92.43 28.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.3 169.8 44.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.05 139.6 80.02 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.313 3.342 . . . . 0.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.28 -174.34 23.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 148.06 48.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.3 mt -104.81 118.73 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.66 131.28 34.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 106.17 -39.56 2.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 55.6 t80 -33.54 150.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.17 -159.91 27.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.9 tttt -57.91 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.86 -36.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.62 -56.91 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.1 -51.84 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.3 m170 -71.12 -34.06 70.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.08 -133.47 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.0 38.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -108.46 -55.19 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.9 m -123.97 -85.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -42.05 -48.46 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.25 -69.6 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 15.9 t -53.8 -44.68 70.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 42.6 m170 -53.63 -71.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -55.93 -23.36 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.4 tt0 -67.89 -54.22 20.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 mmm -87.17 -3.99 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 15.26 9.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 5.8 mmtp -119.76 145.84 46.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.06 166.69 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.39 123.09 10.16 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.36 3.374 . . . . 0.0 109.588 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.8 p -122.65 -9.62 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 157.25 16.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 158.59 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -35.18 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.83 -20.7 61.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.427 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -110.65 -47.76 3.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.23 98.42 11.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.477 ' NZ ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -117.43 118.11 31.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.21 121.25 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.3 mt -132.32 129.37 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.67 121.1 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -97.92 99.95 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.71 132.51 31.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.9 142.39 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.6 6.84 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.406 HD22 ' CD2' ' A' ' 69' ' ' HIS . 8.9 p-10 -138.04 32.59 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.29 122.15 5.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.71 156.68 16.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -119.95 124.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.0 111.38 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -112.6 118.23 45.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.29 96.14 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.283 3.322 . . . . 0.0 109.65 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 62.9 t-80 -79.14 48.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.607 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLN . 10.3 tptt -138.08 -68.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.16 13.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -79.49 2.04 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.4 mt-30 -96.34 -54.14 3.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.47 29.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.431 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 60.1 t -140.5 63.79 22.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 70.5 Cg_exo -41.3 -26.51 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.252 3.301 . . . . 0.0 109.605 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.9 t0 -78.82 114.45 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.18 -16.8 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 11.0 mttt -76.18 -5.35 46.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -52.81 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.76 -53.29 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.2 m-70 -71.67 105.24 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -49.71 7.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -91.97 27.3 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.52 172.46 46.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -52.11 141.97 46.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.369 3.38 . . . . 0.0 109.576 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.9 -176.9 19.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -60.39 151.2 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.68 119.2 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.42 133.76 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.11 -37.68 3.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' GLY . 83.9 t80 -38.62 160.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.38 -154.51 25.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.3 tttt -60.1 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.46 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.74 -57.98 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.96 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.71 -34.37 69.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.575 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.03 -138.24 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 6.9 mttm -83.71 43.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.0 -56.47 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.6 m -121.0 -84.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 2.5 mtmp? -45.11 -48.73 12.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -66.67 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.6 t -56.18 -44.79 79.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 47.0 m170 -52.39 -72.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -21.67 12.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 3.3 mm-40 -63.14 -52.38 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mmm -96.58 0.22 49.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.3 8.37 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -107.91 147.82 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.13 165.04 38.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.5 122.06 9.23 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.297 3.332 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.5 p -122.02 -8.43 8.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -96.15 156.85 16.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.17 157.89 36.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.15 -34.78 3.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.95 -19.62 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.78 -48.67 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' CD2' HD22 ' A' ' 10' ' ' ASN . 97.0 m-70 -88.14 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -115.17 116.81 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mttm . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.2 116.65 13.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.07 127.46 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.38 120.26 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.85 110.62 23.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 135.85 57.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.58 139.72 25.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -75.24 -0.99 21.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -125.94 29.3 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.35 125.41 5.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.38 157.37 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.65 125.91 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 109.6 20.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -111.46 119.01 46.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.85 95.49 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.326 3.351 . . . . 0.0 109.592 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.12 48.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.5 ttpp -139.59 -66.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.15 -23.82 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -79.59 2.38 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LYS . 85.3 mt-30 -95.97 -53.67 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.55 -26.18 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.67 -29.07 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 t -139.52 65.13 32.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 79.0 Cg_exo -43.3 -25.07 0.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.316 3.344 . . . . 0.0 109.578 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.0 t0 -80.14 112.25 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.38 -16.17 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.9 mtmm -76.17 -5.77 48.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.292 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.6 m-70 -73.2 101.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.631 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.55 -50.2 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -91.89 31.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.44 172.9 49.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -53.53 142.16 60.44 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.301 3.334 . . . . 0.0 109.58 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.89 -172.83 22.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 152.01 44.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.6 mt -108.45 118.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -81.76 133.33 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.02 -37.81 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 67.4 t80 -39.5 162.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -152.56 23.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 5.1 tttt -60.98 -78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.97 -35.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' LYS . 2.0 tpt -70.98 -58.21 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.54 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m170 -72.16 -34.5 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.37 -137.46 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -84.06 44.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.6 -57.25 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -120.87 -83.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 2.2 mtmt -45.24 -47.25 12.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.72 -69.4 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.7 t -53.66 -43.24 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 47.3 m170 -54.11 -70.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -59.05 -21.22 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 17.4 tt0 -66.54 -53.71 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmm -89.04 -5.59 57.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.07 12.31 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 23.3 mmtt -117.7 145.96 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.02 167.14 31.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.54 122.74 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.297 3.331 . . . . 0.0 109.556 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 39.0 p -122.43 -8.94 8.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 156.88 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.29 159.15 35.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.37 -34.78 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.73 -19.09 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.44 -49.1 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -87.3 101.3 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -119.59 115.82 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 119.62 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.11 129.1 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.2 t -101.77 121.17 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.51 91.73 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 138.91 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -146.64 139.54 25.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -2.62 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -130.18 34.78 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 102.5 128.58 6.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.2 156.94 32.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.6 119.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -83.64 109.73 17.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -111.5 117.07 49.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -82.97 93.11 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.27 3.313 . . . . 0.0 109.629 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 56.4 t-80 -77.02 52.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -140.33 -69.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.4 -21.55 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -81.51 4.71 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 34.7 mt-30 -96.14 -55.09 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.86 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.05 53.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -137.54 61.01 28.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.9 Cg_exo -38.81 -27.62 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.296 0 C-N-CA 124.343 3.362 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -77.77 113.99 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.45 -18.29 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.3 OUTLIER -74.68 -5.51 43.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -53.33 29.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -94.82 -53.09 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.1 m-70 -71.66 104.53 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.608 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -49.36 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.55 31.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.73 174.14 49.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.96 141.86 96.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.33 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.51 -170.18 23.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 151.65 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.0 mt -108.34 119.24 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.36 132.16 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 105.14 -38.38 3.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 34.5 t80 -38.17 159.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 163.77 -151.15 20.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -62.4 -78.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.8 -36.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -71.18 -57.48 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.7 -51.67 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.6 m170 -72.16 -34.14 68.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.9 -136.12 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 59.7 tttm -85.73 40.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.22 -56.14 0.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -121.73 -86.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.0 mtmt -42.67 -48.49 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.4 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.7 t -55.22 -45.08 75.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 45.5 m170 -52.33 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -54.18 -22.63 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 5.8 mm-40 -65.66 -54.19 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmm -90.65 -3.94 57.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.37 11.89 6.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.2 mtpm? -113.71 146.6 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.34 165.73 36.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.98 121.96 8.83 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.38 3.387 . . . . 0.0 109.613 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.4 p -121.62 -9.64 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 156.97 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.1 158.23 36.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.43 3.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.94 -21.33 60.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -46.97 3.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 108.361 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -90.57 98.46 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -114.93 122.94 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 116.89 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.2 128.69 64.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.21 119.82 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 mt -97.46 98.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 133.12 28.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.81 141.39 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -78.97 4.21 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -134.07 30.67 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.65 124.24 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.93 156.35 17.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -119.45 119.71 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 105.6 16.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -107.1 118.99 52.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.15 94.93 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.315 3.343 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.504 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.67 50.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.619 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.8 tptt -139.79 -68.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.44 -22.46 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -81.28 5.08 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -95.93 -54.65 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -28.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -31.65 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.471 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 47.6 t -137.21 60.97 30.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.6 Cg_exo -38.84 -27.69 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.36 . . . . 0.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' VAL . 49.4 t0 -80.09 116.93 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.42 -17.69 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mtpt -74.33 -4.15 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -68.13 -54.33 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 m -95.07 -53.55 3.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.84 114.2 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.643 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -47.94 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -91.33 30.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 92.85 172.09 40.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -66.16 134.06 35.26 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.35 . . . . 0.0 109.605 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.13 -161.08 28.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 150.72 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.25 119.35 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.07 132.22 34.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.23 -39.16 2.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' GLY . 71.4 t80 -33.37 149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -160.05 27.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.2 tttt -57.9 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.05 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.71 -52.92 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.0 -33.71 72.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.15 -132.42 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -88.11 36.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.0 -52.6 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.74 -85.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 2.8 mtmt -40.93 -50.37 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.15 -70.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 49.6 t -54.34 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.491 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -50.09 -70.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -57.1 -23.93 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 11.5 tt0 -69.09 -57.06 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.0 mmm -80.48 -10.21 59.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 16.61 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.8 mttt -124.3 144.39 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.79 166.72 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.6 122.91 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.325 3.35 . . . . 0.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.2 p -122.93 -8.06 8.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.89 156.64 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 157.4 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.46 -34.39 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.62 -20.71 61.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.75 -48.64 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.86 100.83 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.82 116.19 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.29 116.69 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.58 129.1 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.23 121.7 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.32 100.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -51.74 136.71 27.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.74 139.54 22.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.15 1.16 19.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 20.1 t-20 -125.5 23.98 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.97 118.81 4.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -51.76 155.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.64 123.24 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.1 102.99 15.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -102.75 122.89 44.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -87.08 92.96 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 0.0 109.565 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 59.3 t-80 -79.06 50.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -140.17 -67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.61 -23.02 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.0 1.42 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 75.7 mt-30 -95.23 -53.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -26.52 66.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.38 -29.07 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 51.2 t -138.79 62.92 30.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 69.7 Cg_exo -40.5 -27.06 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.282 3.321 . . . . 0.0 109.651 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' VAL . 25.0 t0 -81.17 114.62 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -84.08 -14.31 50.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.5 mtmp? -77.09 -3.76 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -50.17 54.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -98.59 -53.69 3.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.6 m-70 -70.1 110.19 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.7 -48.6 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -92.53 28.65 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.61 176.84 45.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.16 139.87 86.13 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.337 3.358 . . . . 0.0 109.6 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.59 -173.4 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 147.28 45.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.4 mt -104.19 119.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.87 133.84 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.91 -37.05 3.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.5 t80 -38.42 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.14 -155.35 26.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -60.27 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.25 -36.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.35 -57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -52.68 47.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.8 -33.66 70.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.25 -134.48 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -86.25 39.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.99 -54.33 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.6 m -122.95 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 5.4 mtmt -42.18 -48.4 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.28 -67.57 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 13.1 t -55.48 -43.83 75.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 46.4 m170 -54.18 -72.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.34 -21.85 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 3.9 mm-40 -64.06 -52.06 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmm -96.17 -1.69 47.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 9.4 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -109.35 147.45 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.4 165.41 37.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.31 123.43 11.17 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.266 3.311 . . . . 0.0 109.594 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.4 p -122.42 -8.67 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.65 157.85 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 158.44 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.45 -35.65 3.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -71.83 -19.73 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.342 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.78 -49.61 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.3 m-70 -86.49 106.5 17.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -106.75 115.3 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.33 117.76 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 mt -130.61 128.55 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -97.48 119.63 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 mt -95.75 113.94 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 132.28 48.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.16 135.39 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -6.32 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.63 25.43 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.01 125.53 5.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.89 156.94 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.24 130.23 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 3.3 tmtt? -92.13 113.64 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -115.28 122.56 32.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -86.84 92.73 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.354 3.369 . . . . 0.0 109.582 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.4 t-80 -77.61 51.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -141.78 -68.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.92 -24.91 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -76.02 -1.63 26.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.3 mt-30 -93.66 -52.28 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -66.95 -26.97 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.67 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -139.33 62.73 26.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.1 Cg_exo -40.6 -27.14 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.274 3.316 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 25.0 t70 -79.58 114.12 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.82 -15.21 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.5 mtmt -77.04 -3.81 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -68.14 -52.0 39.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 m -96.68 -54.0 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 108.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.6 m-70 -69.74 114.68 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.659 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.46 -48.05 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -91.56 30.01 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 94.44 172.02 38.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.61 138.37 45.34 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.278 3.318 . . . . 0.0 109.613 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.35 -161.98 27.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 152.54 45.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.09 118.76 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.78 128.58 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.49 -41.16 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' GLY . 82.0 t80 -33.11 149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.65 -162.94 32.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' GLU . 2.8 tttt -52.18 -77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.66 -38.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -54.42 10.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.17 37.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.51 -35.48 68.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -69.32 -137.15 0.09 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -86.03 39.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.49 -52.05 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.3 m -125.26 -87.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -42.52 -51.73 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.64 -63.91 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.5 t -59.02 -50.27 74.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 50.0 m170 -46.32 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.78 -20.67 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.2 tp10 -60.54 -52.72 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -100.48 2.85 42.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.08 4.71 5.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 7.8 mttt -101.33 155.37 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.89 162.44 37.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -67.33 122.3 9.54 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.275 3.316 . . . . 0.0 109.59 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.431 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 59.7 p -121.05 -9.62 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 157.0 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.49 158.43 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.96 -34.48 3.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -73.29 -19.99 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -48.32 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -88.03 110.8 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -129.96 116.87 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.16 116.47 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mt -128.18 128.45 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.27 120.19 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.9 mt -96.65 98.59 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 134.9 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.44 139.14 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 1.13 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -126.68 27.29 6.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.54 122.19 5.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.41 157.21 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -121.54 119.94 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -85.95 108.96 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -110.0 122.52 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -86.32 95.89 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.264 3.309 . . . . 0.0 109.595 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.498 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.97 47.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.7 tttm -138.21 -67.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -22.8 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -80.9 3.94 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' PRO . 80.7 mt-30 -95.43 -54.73 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -29.18 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.228 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.8 -30.4 51.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.475 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.4 t -138.26 61.49 26.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.1 Cg_exo -39.78 -27.18 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.317 3.344 . . . . 0.0 109.631 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 60.7 t0 -79.36 113.24 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.24 -14.98 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 108.286 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.2 mttt -77.65 -4.1 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -68.93 -50.9 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.54 -53.32 3.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.258 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.3 m-70 -72.12 105.66 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.48 -49.51 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.14 30.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.63 169.15 45.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -52.67 141.2 54.27 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.323 3.349 . . . . 0.0 109.61 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 -179.66 18.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.64 19.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -107.95 118.59 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.3 132.11 35.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.41 -39.54 2.81 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 75.9 t80 -33.69 150.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.29 -159.27 26.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -58.29 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.1 -36.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.38 -56.66 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.24 -52.15 54.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.81 -34.21 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.23 -133.52 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.5 37.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -107.2 -53.36 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.5 m -126.03 -85.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -41.72 -49.6 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.15 -69.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.6 t -54.13 -45.69 72.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 41.4 m170 -51.94 -70.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.74 -22.98 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.1 tt0 -68.1 -55.19 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.4 mmm -84.56 -8.66 58.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.29 15.28 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.6 mmpt? -121.42 145.15 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.9 165.74 31.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.05 122.94 10.33 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.302 3.335 . . . . 0.0 109.611 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.6 p -123.0 -8.33 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.411 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 155.7 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.43 157.74 36.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.29 -34.61 3.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.74 -20.72 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 -48.37 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.22 101.03 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.629 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -101.64 114.99 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.66 119.42 12.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -133.66 128.64 54.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -101.42 124.58 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.27 100.6 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 141.14 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.66 143.67 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -81.08 5.77 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -133.47 29.07 3.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.83 115.73 4.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -52.71 155.89 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.13 128.71 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 108.92 20.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -108.73 120.62 45.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -84.75 96.68 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.358 3.372 . . . . 0.0 109.625 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 66.1 t-80 -80.63 49.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.586 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -140.47 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.34 -23.99 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.77 0.89 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.3 mt-30 -95.65 -54.82 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -24.73 66.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.24 -28.8 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.0 t -139.16 62.37 25.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 68.3 Cg_exo -40.12 -27.45 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.333 3.355 . . . . 0.0 109.607 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.8 t70 -79.79 111.22 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -81.57 -13.33 58.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -78.1 -4.16 45.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -68.31 -49.81 57.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 m -98.33 -52.98 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -72.53 100.07 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.652 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -49.92 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -91.35 31.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 169.35 45.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -51.06 142.86 33.48 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.271 3.314 . . . . 0.0 109.607 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.5 -165.04 25.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 152.35 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.727 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.36 119.25 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.8 135.75 34.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.0 -36.25 4.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 69.5 t80 -38.47 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.82 -156.07 27.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.2 tttt -60.29 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.68 -36.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.8 tpt -69.89 -57.19 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.07 -52.62 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.9 m170 -70.17 -34.02 72.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.97 -134.28 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -86.98 39.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.24 -52.79 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.3 m -124.76 -86.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 3.3 mtmp? -41.46 -49.18 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -69.38 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 25.3 t -54.07 -43.66 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 43.8 m170 -54.26 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 14.1 tt0 -66.63 -52.73 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mmm -91.44 -1.08 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 12.67 8.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.5 mmtt -116.24 146.72 42.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.45 166.78 35.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.37 123.79 10.94 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.6 p -123.8 -7.12 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.56 156.29 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.91 157.97 36.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 108.276 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -34.57 3.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.62 -19.17 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.59 -48.69 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.255 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.78 102.63 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -109.56 116.55 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -122.58 -40.5 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.11 118.34 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.92 128.83 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.49 121.43 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 26.7 mt -97.64 99.94 11.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 137.31 30.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.15 140.32 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' CGA' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -79.14 4.01 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -129.65 27.5 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.26 118.48 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.38 156.32 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 125.9 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 110.01 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 56.5 t80 -111.31 122.24 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.51 95.96 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.255 3.303 . . . . 0.0 109.547 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.0 t-80 -80.2 50.52 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 4.7 tttt -140.35 -68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.45 -24.4 20.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -77.46 -0.17 24.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.4 mt-30 -94.39 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -67.26 -26.66 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.69 -27.79 31.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -140.61 63.24 20.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.5 Cg_exo -41.04 -26.66 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.292 3.328 . . . . 0.0 109.601 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.64 115.53 18.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.58 -17.16 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 21.4 mttt -75.73 -5.24 44.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -53.38 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -94.55 -53.17 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.6 m-70 -71.31 105.25 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.88 -49.56 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -91.89 31.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.02 169.94 46.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.04 141.31 79.5 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 0.0 109.598 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.7 -165.89 25.74 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 151.48 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -107.71 119.11 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.25 132.41 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 104.72 -39.18 2.93 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 52.2 t80 -33.61 150.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.47 -160.39 27.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 4.1 tttt -57.95 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.93 -37.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -69.31 -56.5 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -53.1 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.9 m170 -69.49 -34.56 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.29 -133.18 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 17.9 mtpt -86.83 37.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.71 -50.33 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -128.3 -86.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.6 mtmp? -42.19 -52.3 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -28.63 -64.84 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 47.5 t -58.74 -50.56 73.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.5 m170 -45.76 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.98 -21.06 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -60.31 -52.3 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -101.3 2.45 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.25 5.7 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.6 mmtt -102.39 148.07 25.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.44 162.88 37.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.55 121.99 9.54 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.324 3.35 . . . . 0.0 109.595 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.429 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 81.6 p -121.54 -8.83 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 157.0 16.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.98 157.69 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.346 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -34.44 3.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -72.95 -18.56 61.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.11 -49.1 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.32 104.61 16.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 116.03 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.453 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.45 ' CMC' ' CBC' ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.569 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -37.37 -39.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.72 117.32 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 mt -130.49 128.75 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -98.31 121.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.8 mt -99.06 98.27 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 134.35 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -144.75 135.06 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -5.78 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.36 31.6 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.77 126.0 5.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -61.9 156.41 20.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.12 123.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.64 20.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -110.54 122.74 37.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.6 93.4 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 60.2 t-80 -78.46 51.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.584 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.3 tttp -141.32 -68.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.04 -25.58 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -76.1 -1.33 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.598 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.0 mt-30 -93.67 -52.01 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -67.88 -26.89 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.12 -28.36 29.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.445 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.6 t -139.38 62.45 24.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.3 Cg_exo -40.5 -27.24 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.325 3.35 . . . . 0.0 109.597 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -78.53 113.6 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.76 -15.65 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.6 mtmp? -76.87 -5.17 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -51.84 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -95.77 -53.1 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 108.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.87 103.01 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -83.53 -49.96 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -91.45 31.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.63 170.94 47.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -54.62 140.89 75.91 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.336 3.358 . . . . 0.0 109.56 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.2 -164.47 26.52 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -72.05 150.82 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.63 118.93 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -84.36 133.79 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.27 -36.93 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 70.6 t80 -38.12 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.42 -153.41 23.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.7 tttt -60.95 -78.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.87 -36.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.3 -57.54 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.12 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.1 m170 -70.92 -34.15 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.56 -134.96 0.35 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 4.0 mttp -86.28 39.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.03 -54.58 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.1 m -123.47 -85.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.599 ' NZ ' ' CHC' ' A' ' 168' ' ' HEM . 9.5 mtmm -42.49 -49.07 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.79 -67.49 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 11.3 t -55.29 -44.91 76.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.3 m170 -53.49 -71.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -55.4 -21.79 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 3.7 mm-40 -63.07 -52.8 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mmm -96.62 2.11 51.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 72.17 5.49 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.47 165.31 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.3 159.46 9.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -64.16 122.5 10.5 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.297 3.331 . . . . 0.0 109.627 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.462 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 43.8 p -120.51 -9.54 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.05 156.12 16.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.39 157.85 37.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.44 3.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -73.2 -19.35 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.53 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -112.28 -48.6 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.13 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -115.9 115.65 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.447 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.434 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.599 ' CHC' ' NZ ' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -169.87 -41.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.46 115.53 7.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.464 ' CD1' ' O1A' ' A' ' 130' ' ' HEM . 13.8 mt -128.9 128.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.94 121.03 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -98.19 95.8 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 135.57 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.25 141.23 27.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -78.93 3.69 16.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -132.14 29.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.0 121.95 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -58.71 156.53 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.71 122.0 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.01 109.17 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 42.4 t80 -109.88 122.94 37.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.55 93.7 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.285 3.324 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.0 t-80 -78.9 50.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 12.2 tttt -140.51 -68.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.01 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.67 0.04 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' PRO . 68.9 mt-30 -94.21 -53.15 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -67.41 -27.17 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.1 -28.54 32.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.6 t -139.44 62.59 24.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.0 Cg_exo -40.35 -27.11 0.24 Allowed 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.317 3.344 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.99 118.05 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.32 -18.31 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.252 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.8 mmmt -74.53 -4.87 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.47 -54.74 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -93.67 -53.02 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.0 m-70 -70.79 113.14 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.566 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -47.81 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -92.15 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.12 173.83 39.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.89 141.01 95.77 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.324 3.349 . . . . 0.0 109.669 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.29 -164.77 25.87 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 147.66 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.5 mt -103.26 119.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.52 131.18 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.91 -39.32 2.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.1 t80 -33.67 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.04 -160.5 28.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -57.94 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.99 -36.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.5 -56.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.31 -52.25 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.0 m170 -70.93 -34.26 71.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.0 -134.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -87.08 38.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.38 -55.12 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.5 m -123.57 -85.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -41.77 -48.65 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.21 -69.61 0.15 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 22.7 t -53.68 -44.76 69.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 45.6 m170 -53.09 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.04 -22.99 43.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 23.1 tt0 -67.34 -54.79 17.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.6 mmm -86.09 -7.4 58.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.99 14.02 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 43.5 mttm -119.7 145.86 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.81 166.97 33.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -68.97 123.02 9.92 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.282 3.322 . . . . 0.0 109.575 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.456 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 44.5 p -123.45 -8.09 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -95.04 156.37 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.88 157.85 36.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.77 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -72.65 -19.95 61.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.532 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.59 -48.75 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -88.01 101.9 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.629 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -106.42 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.549 ' CHA' ' O1A' ' A' ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.435 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.563 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.442 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -172.63 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.64 116.88 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.52 128.76 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -99.78 121.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 43.2 mt -98.85 97.56 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 135.72 25.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.45 134.98 20.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -6.61 36.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -119.9 29.18 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.29 124.51 5.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -60.44 156.12 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -119.9 121.35 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 107.32 18.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -107.25 122.71 40.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -86.7 93.78 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.353 3.369 . . . . 0.0 109.581 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.521 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 58.2 t-80 -79.48 49.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' CD ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -138.56 -68.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.446 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.97 -24.84 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -76.24 -1.49 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' PRO . 88.6 mt-30 -93.83 -52.92 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -67.19 -26.68 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.89 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 54.9 t -139.22 62.61 26.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' GLN . 68.8 Cg_exo -40.18 -27.34 0.23 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.345 3.363 . . . . 0.0 109.587 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.48 115.46 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.64 -16.19 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 12.5 mttp -76.84 -4.5 43.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -67.94 -52.04 40.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -95.76 -53.5 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.7 m-70 -70.84 109.49 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.88 -55.72 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.18 0.78 26.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.0 170.1 17.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.44 137.55 39.78 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.357 3.371 . . . . 0.0 109.556 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.22 -167.88 25.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 147.07 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -104.2 119.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 134.52 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.2 -37.07 3.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' GLY . 74.9 t80 -37.68 158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.4 -154.67 25.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.8 OUTLIER -60.4 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.7 -36.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.14 -57.54 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.02 42.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.58 -136.6 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -85.03 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.18 -52.3 0.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.405 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 78.3 m -124.7 -86.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 53' ' ' GLY . 5.1 mtmp? -43.66 -51.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.54 -63.58 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.6 t -59.02 -50.45 74.03 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LYS . 57.0 m170 -46.15 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.52 -20.98 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tp10 -61.12 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mmm -99.46 4.91 46.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.17 2.46 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' O ' ' CA ' ' A' ' 55' ' ' HIS . 8.0 mmtt -99.5 166.66 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.36 156.02 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.75 122.69 11.1 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.368 3.378 . . . . 0.0 109.571 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.454 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 45.4 p -119.85 -9.99 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.06 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.28 157.7 37.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.21 3.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -72.61 -18.85 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.27 -49.35 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.8 m-70 -87.17 101.54 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -113.66 116.38 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tptt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.44 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.416 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.574 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -38.43 -37.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.36 117.26 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -129.16 128.73 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -98.5 121.1 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.466 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 25.9 mt -98.27 100.79 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 138.07 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.92 141.41 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 2.75 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.418 ' ND2' ' C4A' ' A' ' 168' ' ' HEM . 10.4 p-10 -134.17 32.72 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.34 123.44 5.27 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.95 157.4 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -119.22 125.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.34 109.43 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -109.97 122.85 37.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.62 96.2 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.336 3.357 . . . . 0.0 109.619 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.1 t-80 -80.58 48.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 34.0 tptt -139.25 -68.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.11 -24.81 19.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -76.8 -0.71 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' PRO . 87.5 mt-30 -94.04 -53.63 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -67.43 -26.42 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -28.07 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.1 t -140.52 63.43 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLN . 72.8 Cg_exo -41.33 -26.52 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.314 3.343 . . . . 0.0 109.631 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 65.3 t0 -79.13 114.13 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.31 -16.64 39.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 8.3 mttt -75.94 -5.16 44.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -53.74 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -93.98 -53.25 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.48 106.44 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.555 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.53 -49.85 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -92.53 30.3 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.59 171.29 47.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.03 140.87 69.52 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.324 3.349 . . . . 0.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.79 -164.1 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.1 148.09 44.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.99 119.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.43 135.59 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.37 -36.32 4.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.6 t80 -37.85 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.72 -155.57 27.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.0 tttt -59.97 -78.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.82 -37.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -69.69 -57.24 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.66 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.7 m170 -69.95 -34.49 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.19 -135.76 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 1.5 pttp -85.52 38.86 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.25 -50.98 0.69 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -126.35 -86.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -42.83 -51.81 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.04 -64.37 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 44.6 t -59.06 -50.39 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.4 m170 -45.73 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.649 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.67 -21.49 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.0 tp10 -60.19 -52.26 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.45 4.51 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.29 7.61 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -103.95 147.82 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.5 164.37 39.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.75 122.06 9.58 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.265 3.31 . . . . 0.0 109.636 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.414 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 60.1 p -122.13 -8.64 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.51 157.52 16.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.34 158.49 34.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 108.257 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.83 -34.68 3.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.33 -18.86 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.314 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.529 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.04 -49.04 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.38 103.47 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -113.08 116.35 29.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.444 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.449 ' CMC' ' CBC' ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.565 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -107.81 -43.18 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.99 115.71 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.3 mt -130.64 128.6 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -100.03 121.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 68.0 mt -98.75 92.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 135.21 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.35 141.39 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 2.86 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -130.63 28.95 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.03 120.38 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -56.44 156.13 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.41 121.08 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -86.36 106.1 17.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -106.06 123.09 40.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -86.6 94.97 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 0.0 109.637 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 63.4 t-80 -80.16 48.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.616 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -137.47 -69.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.65 -24.21 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -77.27 0.12 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.618 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.4 mt-30 -95.07 -54.19 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -67.75 -25.97 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.9 -27.98 30.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.434 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -140.73 63.33 19.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.5 Cg_exo -41.03 -27.07 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.267 3.311 . . . . 0.0 109.624 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.64 114.06 17.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.34 -16.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -75.97 -5.57 46.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -66.96 -52.09 47.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 m -95.99 -53.41 3.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 95.0 m-70 -71.13 102.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -50.33 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -91.77 31.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.68 175.96 50.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -57.41 140.62 93.67 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.364 3.376 . . . . 0.0 109.565 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.34 -170.91 23.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HA ' ' CGD' ' A' ' 130' ' ' HEM . 0.0 OUTLIER -65.78 146.69 54.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.53 118.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -84.2 134.14 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.32 -36.57 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' GLY . 52.5 t80 -38.27 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.9 -157.42 29.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -59.3 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.7 tpt -69.48 -57.41 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.59 -52.96 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.6 m170 -69.69 -34.53 74.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.37 -135.32 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.415 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 2.9 tptt -85.55 39.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.59 -52.4 0.62 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -124.92 -86.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 mtmp? -43.14 -51.41 5.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.27 -64.38 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.9 t -59.11 -50.29 74.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.7 m170 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.15 -21.07 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.9 tp10 -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mmm -101.21 4.25 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.63 7.56 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 11.3 mmtm -104.83 147.4 27.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.08 164.35 37.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.51 121.89 9.22 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.332 3.355 . . . . 0.0 109.626 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.4 p -121.96 -8.54 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.75 157.01 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.84 157.55 37.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 108.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.14 -34.38 3.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.97 -18.59 61.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.532 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.07 -49.08 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.32 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -110.32 116.87 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.478 ' CGD' ' HA ' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.447 ' CMC' ' CBC' ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.562 ' ND ' ' CE1' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -110.8 -39.58 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.54 118.46 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 mt -132.97 128.27 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -101.31 120.88 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 35.5 mt -97.81 97.0 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -50.23 134.66 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.22 140.55 24.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG3' ' CGA' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -79.19 3.91 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -127.98 25.66 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.57 117.13 4.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -53.1 155.97 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.26 121.51 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.85 107.05 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -109.36 118.51 50.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -83.01 94.65 0.83 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.288 3.325 . . . . 0.0 109.613 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.29 51.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' GLN . 21.2 tttt -142.09 -67.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.84 -22.49 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -80.74 3.41 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.8 mt-30 -96.49 -53.91 3.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -66.89 -25.83 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.49 -30.0 30.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.0 t -137.77 62.17 33.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 66.4 Cg_exo -39.78 -27.64 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.358 3.372 . . . . 0.0 109.573 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.7 t70 -80.8 112.24 18.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.42 -13.45 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 10.1 mmtt -77.94 -4.14 45.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -67.99 -48.63 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -100.02 -53.51 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 95.2 m-70 -70.88 103.74 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -49.37 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.8 31.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.32 170.6 47.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.55 141.34 74.23 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.32 3.346 . . . . 0.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -168.9 24.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 151.14 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.3 mt -108.11 119.11 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 134.0 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.99 -36.92 3.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 40' ' ' GLY . 82.9 t80 -38.2 159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.87 -153.97 24.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.2 ttmt -60.35 -78.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.81 -36.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.67 -57.83 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.4 -52.1 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.14 -136.04 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.36 41.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -111.92 -55.05 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.84 -85.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -42.79 -48.24 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.48 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.461 ' HB3' ' C2C' ' A' ' 154' ' ' HEM . 13.7 t -54.39 -44.29 72.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 47.7 m170 -53.93 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -56.13 -22.63 29.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 27.7 tt0 -68.81 -54.93 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.1 mmm -85.21 -8.08 58.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 72.95 14.39 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -120.84 145.42 47.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.71 167.62 32.25 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.45 123.4 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.32 3.347 . . . . 0.0 109.622 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.2 p -123.44 -7.93 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -96.51 156.95 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.03 158.1 36.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.75 -34.91 3.59 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.49 -19.12 61.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.3 -49.14 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -87.16 104.29 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -116.15 116.75 28.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.411 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.461 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.559 ' C2A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -37.36 -45.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 116.52 4.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mt -132.35 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.91 121.01 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 33.7 mt -99.24 98.5 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 132.77 24.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.55 139.26 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -77.12 1.8 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -131.85 31.63 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 123.95 5.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.49 155.68 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.0 t -118.79 118.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 101.93 12.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 39.2 t80 -101.47 124.04 42.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.403 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 80.1 Cg_endo -86.29 93.75 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.502 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 59.2 t-80 -79.71 50.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.607 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -141.22 -68.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -53.64 -22.17 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -80.75 3.56 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.1 mt-30 -94.41 -54.44 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -29.98 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -29.79 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 46.6 t -138.67 61.94 26.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.6 Cg_exo -40.65 -26.62 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.299 3.333 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.6 t70 -81.28 113.36 19.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.55 -14.39 52.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -77.03 -4.32 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.0 mmtt -68.51 -50.57 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 m -97.76 -53.48 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 95.3 m-70 -71.64 102.88 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.31 -49.61 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -91.43 30.59 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.93 173.38 49.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -55.98 141.03 86.85 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.308 3.339 . . . . 0.0 109.596 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -171.01 23.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 150.21 48.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -107.03 119.55 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.35 -37.56 3.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 73.0 t80 -38.44 160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.93 -154.85 25.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.3 OUTLIER -59.94 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.98 -36.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.61 -57.78 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.23 -52.51 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.564 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -71.32 -33.96 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.69 -137.01 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 11.9 tttm -84.18 42.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.11 -54.99 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.1 m -121.97 -86.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 mtmp? -44.1 -49.8 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.98 -65.26 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.7 t -57.88 -48.0 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 58.7 m170 -48.16 -72.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.01 -21.57 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -61.08 -51.98 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mmm -100.53 3.89 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? 68.26 8.1 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -105.75 147.18 28.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 165.95 37.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -70.03 121.89 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 0.0 109.596 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.7 p -121.53 -8.83 9.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 157.4 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.21 158.64 36.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.67 -34.77 3.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.71 -18.93 61.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.529 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.61 -48.86 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.89 102.67 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 116.42 31.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.408 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.451 ' CMC' ' CBC' ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.572 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER 75.77 -51.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 119.37 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mt -130.31 129.03 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -95.72 121.5 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 48.0 mt -99.49 96.62 7.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 136.42 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.03 140.09 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 3.42 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.92 28.72 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.19 117.94 4.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.82 155.69 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.88 122.66 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 108.24 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -109.62 122.43 39.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.72 97.21 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 62.7 t-80 -81.19 48.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.619 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 20.7 tttt -138.13 -68.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.23 -23.36 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -78.47 0.79 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' PRO . 65.6 mt-30 -95.41 -53.68 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -67.03 -26.62 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.34 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 57.0 t -138.56 62.14 27.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 64.1 Cg_exo -39.46 -27.97 0.18 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.326 3.351 . . . . 0.0 109.639 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.4 t70 -80.1 114.41 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 m -83.77 -14.22 52.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.3 mtmt -77.73 -4.05 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -68.32 -48.19 65.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -100.35 -54.04 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.86 110.81 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.89 -48.28 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.16 26.26 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.24 174.22 42.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.09 143.25 96.84 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.362 3.375 . . . . 0.0 109.583 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.25 -164.49 25.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 152.06 44.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.19 119.15 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.17 134.97 35.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.6 -36.79 3.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' GLY . 71.0 t80 -38.5 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 -154.69 25.69 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.6 tttt -60.16 -78.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.62 -36.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.32 -57.81 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.06 -52.55 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.78 -137.13 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.414 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -84.18 42.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -113.34 -53.98 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.6 m -123.33 -85.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' GLY . 4.1 mtmp? -45.04 -50.88 10.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.95 -64.18 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 45.2 t -58.97 -49.68 76.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.5 m170 -46.36 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.9 -20.96 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.6 tp10 -60.58 -52.17 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.37 4.65 41.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.34 7.63 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 mmtt -104.45 147.58 27.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.53 163.91 37.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.32 122.65 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.327 3.351 . . . . 0.0 109.572 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.0 p -122.48 -8.43 8.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -97.28 156.71 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 157.46 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.48 3.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -72.76 -18.96 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.67 -48.8 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.287 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.64 105.13 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -116.41 116.38 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.448 ' CMC' ' CBC' ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.569 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -96.97 -37.95 9.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 116.72 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.4 mt -129.48 127.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.75 121.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.477 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 27.0 mt -100.07 100.78 11.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' O ' ' CGD' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -54.64 135.27 46.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -143.3 145.81 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 7.09 13.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.45 HD22 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -138.23 31.86 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.61 123.04 5.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.65 157.3 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.35 123.21 71.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 104.86 17.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.0 t80 -105.92 123.65 38.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 82.4 Cg_endo -87.23 94.15 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.325 3.35 . . . . 0.0 109.571 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.6 t-80 -79.33 50.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.568 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.6 tttt -140.9 -68.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -22.17 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -79.66 1.87 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 57.5 mt-30 -96.05 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -26.35 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.95 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.432 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.5 t -137.56 62.23 34.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLN . 63.1 Cg_exo -39.49 -27.89 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.321 3.347 . . . . 0.0 109.579 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' VAL . 28.8 t70 -80.59 113.37 18.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.78 -14.15 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 3.8 mtmm -77.38 -3.94 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -49.54 61.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.21 -53.82 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.1 m-70 -70.01 108.18 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.59 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.56 -55.39 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.64 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 169.83 18.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.37 139.01 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.296 3.331 . . . . 0.0 109.579 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.79 -164.46 25.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 147.89 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -104.0 119.06 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 133.84 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 102.94 -38.44 3.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.9 t80 -34.26 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.22 -162.52 32.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -56.75 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.63 -36.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.16 -56.85 5.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.0 -52.68 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.8 m170 -70.15 -34.58 73.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.57 -132.88 0.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 10.1 ttpp -86.93 38.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.77 -54.49 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.36 -86.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' O ' ' C ' ' A' ' 53' ' ' GLY . 3.9 mtmp? -41.6 -48.66 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -67.28 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.441 ' HB3' ' C2C' ' A' ' 154' ' ' HEM . 13.9 t -55.69 -44.16 77.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.7 m170 -53.86 -71.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.58 -21.56 10.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 2.8 mm-40 -62.5 -51.88 65.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmm -98.64 0.56 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -105.61 148.17 27.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.85 164.77 38.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.41 123.37 11.05 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.272 3.315 . . . . 0.0 109.627 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 64.3 p -122.93 -8.46 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -97.21 156.51 16.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.4 157.99 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 108.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.7 -34.56 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.4 -18.07 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.53 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -113.8 -49.69 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.568 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -86.84 100.47 12.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 116.2 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.441 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.568 ' ND ' ' CE1' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.445 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -38.84 -36.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.89 118.26 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -132.01 128.59 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.9 t -100.32 121.05 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 51.3 mt -97.76 94.7 7.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 137.78 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -150.22 136.24 18.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.47 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 7.1 pttt -72.15 -4.37 28.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -121.71 28.02 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.02 124.33 5.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.82 156.61 16.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -120.99 119.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -83.89 108.75 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -110.2 118.28 49.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -83.11 96.33 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.325 3.35 . . . . 0.0 109.589 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.476 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 62.3 t-80 -79.27 49.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -140.32 -66.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.426 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.42 -24.03 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.16 2.4 24.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' LYS . 83.5 mt-30 -96.59 -53.79 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -67.9 -24.62 65.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.87 -30.33 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.439 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.9 t -138.28 63.87 37.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 74.1 Cg_exo -41.72 -26.19 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.287 3.324 . . . . 0.0 109.609 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.1 t0 -78.58 112.15 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.97 -17.19 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.5 mttp -75.43 -6.14 48.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.92 -53.3 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.2 -52.6 4.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 108.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.4 m-70 -72.94 100.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 -50.43 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -91.71 31.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.07 172.2 48.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -52.39 141.62 50.21 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.34 . . . . 0.0 109.555 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.07 -178.59 19.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HA ' ' CGD' ' A' ' 130' ' ' HEM . 0.1 OUTLIER -59.76 148.17 35.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.15 118.6 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -85.06 129.1 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.21 -40.44 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 68.0 t80 -33.83 150.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.62 -160.52 29.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 4.1 tttt -57.76 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.35 -37.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' CA ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -70.16 -57.39 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.8 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.506 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.6 m170 -71.24 -34.25 70.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.45 -133.28 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.405 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -86.06 38.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.461 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.58 -53.23 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.0 m -125.59 -85.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -42.5 -49.28 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.42 -66.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.462 ' HB3' ' C2C' ' A' ' 154' ' ' HEM . 9.0 t -55.89 -45.13 78.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 45.8 m170 -53.23 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.18 -21.97 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.9 mm-40 -64.53 -52.88 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 mmm -95.1 -3.28 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 72.43 9.96 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.4 mmpt? -109.3 147.28 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.05 165.26 38.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.61 121.76 9.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.317 3.345 . . . . 0.0 109.621 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.0 p -121.1 -9.28 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -97.48 157.0 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 159.2 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.6 -34.78 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.62 -20.25 61.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.529 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -111.48 -48.38 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.32 101.16 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.98 116.04 29.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.473 ' CGD' ' HA ' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.462 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.563 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.58 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.84 115.77 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mt -128.7 128.13 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.54 120.41 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -97.25 95.97 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 135.08 25.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -146.95 137.64 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -74.19 -1.98 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -124.32 28.19 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.74 123.75 5.29 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.78 156.25 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.34 117.77 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' H ' ' NZ ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -85.21 106.89 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.401 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.8 t80 -106.38 123.51 38.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.401 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 98.6 Cg_endo -86.28 95.66 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.256 3.304 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.7 t-80 -80.53 47.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -139.04 -67.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.28 -23.59 15.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.03 1.43 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' PRO . 70.7 mt-30 -95.19 -53.89 3.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -66.7 -26.5 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.6 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.437 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.8 t -138.05 62.43 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' GLN . 67.7 Cg_exo -40.15 -27.24 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 23.7 t70 -80.44 113.6 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.06 -13.41 53.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 34.2 mttt -78.63 -3.16 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.1 mmtm -69.28 -49.78 52.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -97.97 -53.58 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.3 108.24 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -88.1 -48.91 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -92.43 28.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.3 169.8 44.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.05 139.6 80.02 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.313 3.342 . . . . 0.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.28 -174.34 23.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 148.06 48.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.3 mt -104.81 118.73 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.66 131.28 34.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 106.17 -39.56 2.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 55.6 t80 -33.54 150.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.17 -159.91 27.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.9 tttt -57.91 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.86 -36.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.62 -56.91 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.1 -51.84 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.3 m170 -71.12 -34.06 70.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.08 -133.47 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.0 38.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -108.46 -55.19 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.9 m -123.97 -85.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -42.05 -48.46 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.25 -69.6 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 15.9 t -53.8 -44.68 70.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 42.6 m170 -53.63 -71.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -55.93 -23.36 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.4 tt0 -67.89 -54.22 20.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 mmm -87.17 -3.99 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 15.26 9.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 5.8 mmtp -119.76 145.84 46.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.06 166.69 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -68.39 123.09 10.16 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.36 3.374 . . . . 0.0 109.588 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.8 p -122.65 -9.62 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 157.25 16.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 158.59 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -35.18 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -72.83 -20.7 61.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -110.65 -47.76 3.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.565 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -89.23 98.42 11.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.477 ' NZ ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -117.43 118.11 31.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.434 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.44 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.565 ' ND ' ' CE1' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.474 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER 70.92 -54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.21 121.25 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.3 mt -132.32 129.37 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.67 121.1 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -97.92 99.95 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.499 ' O ' ' CGD' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -51.71 132.51 31.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.9 142.39 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.6 6.84 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.447 ' ND2' ' C4A' ' A' ' 168' ' ' HEM . 8.9 p-10 -138.04 32.59 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.29 122.15 5.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.71 156.68 16.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -119.95 124.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.0 111.38 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -112.6 118.23 45.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.29 96.14 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.283 3.322 . . . . 0.0 109.65 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 62.9 t-80 -79.14 48.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.607 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLN . 10.3 tptt -138.08 -68.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.16 13.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -79.49 2.04 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.4 mt-30 -96.34 -54.14 3.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.47 29.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.431 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 60.1 t -140.5 63.79 22.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 70.5 Cg_exo -41.3 -26.51 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.252 3.301 . . . . 0.0 109.605 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.9 t0 -78.82 114.45 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.18 -16.8 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 11.0 mttt -76.18 -5.35 46.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -52.81 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.76 -53.29 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.2 m-70 -71.67 105.24 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -49.71 7.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -91.97 27.3 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.52 172.46 46.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -52.11 141.97 46.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.369 3.38 . . . . 0.0 109.576 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.9 -176.9 19.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -60.39 151.2 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.68 119.2 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.42 133.76 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.11 -37.68 3.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' GLY . 83.9 t80 -38.62 160.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.38 -154.51 25.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.3 tttt -60.1 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.46 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.74 -57.98 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.96 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.71 -34.37 69.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.575 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.03 -138.24 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 6.9 mttm -83.71 43.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.0 -56.47 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.6 m -121.0 -84.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' HD3' ' CMC' ' A' ' 168' ' ' HEM . 2.5 mtmp? -45.11 -48.73 12.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -66.67 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.6 t -56.18 -44.79 79.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 47.0 m170 -52.39 -72.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.99 -21.67 12.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 3.3 mm-40 -63.14 -52.38 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mmm -96.58 0.22 49.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.3 8.37 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -107.91 147.82 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.13 165.04 38.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.5 122.06 9.23 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.297 3.332 . . . . 0.0 109.624 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.5 p -122.02 -8.43 8.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -96.15 156.85 16.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.17 157.89 36.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.15 -34.78 3.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.95 -19.62 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.534 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.78 -48.67 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.565 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.14 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -115.17 116.81 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mttm . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.437 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.444 ' CMC' ' CBC' ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.565 ' ND ' ' CE1' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -56.7 -33.66 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.2 116.65 13.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.07 127.46 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.38 120.26 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' CB ' ' O2D' ' A' ' 168' ' ' HEM . 21.7 mt -97.85 110.62 23.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 135.85 57.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.493 ' CB ' ' O1D' ' A' ' 168' ' ' HEM . . . -146.58 139.72 25.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -75.24 -0.99 21.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -125.94 29.3 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 103.35 125.41 5.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.38 157.37 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.65 125.91 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 109.6 20.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -111.46 119.01 46.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.85 95.49 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.326 3.351 . . . . 0.0 109.592 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.12 48.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.5 ttpp -139.59 -66.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.15 -23.82 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -79.59 2.38 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LYS . 85.3 mt-30 -95.97 -53.67 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.55 -26.18 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.67 -29.07 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 t -139.52 65.13 32.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 79.0 Cg_exo -43.3 -25.07 0.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.316 3.344 . . . . 0.0 109.578 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.0 t0 -80.14 112.25 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.38 -16.17 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.9 mtmm -76.17 -5.77 48.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.292 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 93.6 m-70 -73.2 101.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.631 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.55 -50.2 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -91.89 31.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.44 172.9 49.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -53.53 142.16 60.44 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.301 3.334 . . . . 0.0 109.58 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.89 -172.83 22.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 152.01 44.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.6 mt -108.45 118.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -81.76 133.33 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.02 -37.81 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 67.4 t80 -39.5 162.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -152.56 23.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 5.1 tttt -60.98 -78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.97 -35.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' LYS . 2.0 tpt -70.98 -58.21 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.54 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m170 -72.16 -34.5 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.37 -137.46 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -84.06 44.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.6 -57.25 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -120.87 -83.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 2.2 mtmt -45.24 -47.25 12.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.72 -69.4 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.7 t -53.66 -43.24 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 47.3 m170 -54.11 -70.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -59.05 -21.22 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 17.4 tt0 -66.54 -53.71 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmm -89.04 -5.59 57.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.07 12.31 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 23.3 mmtt -117.7 145.96 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.02 167.14 31.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.54 122.74 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.297 3.331 . . . . 0.0 109.556 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.463 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 39.0 p -122.43 -8.94 8.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 156.88 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.29 159.15 35.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.37 -34.78 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.73 -19.09 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -112.44 -49.1 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.557 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.2 m-70 -87.3 101.3 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.571 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -119.59 115.82 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.449 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.447 ' CMC' ' CBC' ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.572 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -36.98 -50.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 119.62 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.11 129.1 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.2 t -101.77 121.17 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.51 91.73 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 138.91 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 11' ' ' GLY . . . -146.64 139.54 25.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -2.62 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.463 ' ND2' ' C4A' ' A' ' 168' ' ' HEM . 14.9 p-10 -130.18 34.78 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' O ' ' CB ' ' A' ' 8' ' ' ALA . . . 102.5 128.58 6.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.2 156.94 32.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.6 119.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -83.64 109.73 17.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 58.0 t80 -111.5 117.07 49.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -82.97 93.11 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.27 3.313 . . . . 0.0 109.629 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 56.4 t-80 -77.02 52.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -140.33 -69.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.4 -21.55 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -81.51 4.71 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 34.7 mt-30 -96.14 -55.09 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.86 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.05 53.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -137.54 61.01 28.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.9 Cg_exo -38.81 -27.62 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.296 0 C-N-CA 124.343 3.362 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -77.77 113.99 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.45 -18.29 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.3 OUTLIER -74.68 -5.51 43.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -53.33 29.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -94.82 -53.09 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.1 m-70 -71.66 104.53 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.608 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -49.36 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.55 31.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.73 174.14 49.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.96 141.86 96.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.33 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.51 -170.18 23.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 151.65 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.0 mt -108.34 119.24 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.36 132.16 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 105.14 -38.38 3.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 34.5 t80 -38.17 159.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 163.77 -151.15 20.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -62.4 -78.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.8 -36.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -71.18 -57.48 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.7 -51.67 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.6 m170 -72.16 -34.14 68.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.9 -136.12 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.403 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 59.7 tttm -85.73 40.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.22 -56.14 0.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -121.73 -86.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.0 mtmt -42.67 -48.49 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.4 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.7 t -55.22 -45.08 75.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 45.5 m170 -52.33 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -54.18 -22.63 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 5.8 mm-40 -65.66 -54.19 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmm -90.65 -3.94 57.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.37 11.89 6.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.2 mtpm? -113.71 146.6 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.34 165.73 36.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.98 121.96 8.83 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.38 3.387 . . . . 0.0 109.613 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 41.4 p -121.62 -9.64 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 156.97 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.1 158.23 36.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.43 3.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.94 -21.33 60.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.527 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -109.86 -46.97 3.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 108.361 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.572 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -90.57 98.46 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -114.93 122.94 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.415 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.441 ' CMC' ' CBC' ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.572 ' ND ' ' CE1' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -155.47 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 116.89 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.2 128.69 64.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.21 119.82 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 mt -97.46 98.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 133.12 28.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -142.81 141.39 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 1.8 pttt -78.97 4.21 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -134.07 30.67 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.65 124.24 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.93 156.35 17.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -119.45 119.71 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 105.6 16.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.443 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 51.7 t80 -107.1 118.99 52.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.15 94.93 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.315 3.343 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.67 50.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.619 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.8 tptt -139.79 -68.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.44 -22.46 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -81.28 5.08 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -95.93 -54.65 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -28.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -31.65 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.471 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 47.6 t -137.21 60.97 30.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.6 Cg_exo -38.84 -27.69 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.36 . . . . 0.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' VAL . 49.4 t0 -80.09 116.93 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.42 -17.69 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mtpt -74.33 -4.15 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -68.13 -54.33 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 m -95.07 -53.55 3.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.84 114.2 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.643 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -47.94 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -91.33 30.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 92.85 172.09 40.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -66.16 134.06 35.26 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.35 . . . . 0.0 109.605 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.13 -161.08 28.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 150.72 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.25 119.35 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.07 132.22 34.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.23 -39.16 2.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' GLY . 71.4 t80 -33.37 149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -160.05 27.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.2 tttt -57.9 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.05 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.71 -52.92 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.0 -33.71 72.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.15 -132.42 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -88.11 36.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.0 -52.6 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.74 -85.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 2.8 mtmt -40.93 -50.37 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.15 -70.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 49.6 t -54.34 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.491 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -50.09 -70.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -57.1 -23.93 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 11.5 tt0 -69.09 -57.06 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.0 mmm -80.48 -10.21 59.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 16.61 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.8 mttt -124.3 144.39 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.79 166.72 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.6 122.91 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.325 3.35 . . . . 0.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.2 p -122.93 -8.06 8.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.89 156.64 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 157.4 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.46 -34.39 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -72.62 -20.71 61.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -110.75 -48.64 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 108.319 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.563 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.86 100.83 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.82 116.19 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.418 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.443 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.565 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -168.47 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.29 116.69 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.58 129.1 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.23 121.7 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.32 100.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -51.74 136.71 27.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.74 139.54 22.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 0.1 OUTLIER -77.15 1.16 19.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.451 ' O ' ' OD1' ' A' ' 10' ' ' ASN . 20.1 t-20 -125.5 23.98 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 105.97 118.81 4.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -51.76 155.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.64 123.24 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.1 102.99 15.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 50.8 t80 -102.75 122.89 44.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -87.08 92.96 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 0.0 109.565 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.505 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 59.3 t-80 -79.06 50.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -140.17 -67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.61 -23.02 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.0 1.42 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 75.7 mt-30 -95.23 -53.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -26.52 66.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.38 -29.07 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 51.2 t -138.79 62.92 30.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 69.7 Cg_exo -40.5 -27.06 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.282 3.321 . . . . 0.0 109.651 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' VAL . 25.0 t0 -81.17 114.62 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -84.08 -14.31 50.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.5 mtmp? -77.09 -3.76 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -50.17 54.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -98.59 -53.69 3.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.6 m-70 -70.1 110.19 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.7 -48.6 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -92.53 28.65 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.61 176.84 45.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.16 139.87 86.13 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.337 3.358 . . . . 0.0 109.6 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.59 -173.4 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 147.28 45.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.4 mt -104.19 119.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.87 133.84 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.91 -37.05 3.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.5 t80 -38.42 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.14 -155.35 26.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -60.27 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.25 -36.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.35 -57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -52.68 47.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.8 -33.66 70.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.25 -134.48 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -86.25 39.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.99 -54.33 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.6 m -122.95 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 5.4 mtmt -42.18 -48.4 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.28 -67.57 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.45 ' HB3' ' C2C' ' A' ' 154' ' ' HEM . 13.1 t -55.48 -43.83 75.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 46.4 m170 -54.18 -72.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.34 -21.85 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 3.9 mm-40 -64.06 -52.06 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmm -96.17 -1.69 47.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 9.4 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -109.35 147.45 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.4 165.41 37.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.31 123.43 11.17 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.266 3.311 . . . . 0.0 109.594 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.4 p -122.42 -8.67 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.65 157.85 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 158.44 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.45 -35.65 3.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -71.83 -19.73 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.342 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.515 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.78 -49.61 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.548 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -86.49 106.5 17.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -106.75 115.3 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.413 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.45 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.575 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.33 117.76 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 mt -130.61 128.55 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -97.48 119.63 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 mt -95.75 113.94 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 132.28 48.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.16 135.39 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 1.0 OUTLIER -70.32 -6.32 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.63 25.43 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.01 125.53 5.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.89 156.94 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.24 130.23 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 3.3 tmtt? -92.13 113.64 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -115.28 122.56 32.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -86.84 92.73 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.354 3.369 . . . . 0.0 109.582 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.472 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 61.4 t-80 -77.61 51.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -141.78 -68.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.92 -24.91 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -76.02 -1.63 26.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.3 mt-30 -93.66 -52.28 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -66.95 -26.97 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.67 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.436 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -139.33 62.73 26.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.1 Cg_exo -40.6 -27.14 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.274 3.316 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 25.0 t70 -79.58 114.12 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.82 -15.21 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.5 mtmt -77.04 -3.81 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -68.14 -52.0 39.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 m -96.68 -54.0 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 108.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.6 m-70 -69.74 114.68 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.659 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.46 -48.05 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -91.56 30.01 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 94.44 172.02 38.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.61 138.37 45.34 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.278 3.318 . . . . 0.0 109.613 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.35 -161.98 27.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 152.54 45.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.09 118.76 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.78 128.58 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.49 -41.16 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CE2' ' O2D' ' A' ' 168' ' ' HEM . 82.0 t80 -33.11 149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.65 -162.94 32.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.585 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 2.8 tttt -52.18 -77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.66 -38.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -54.42 10.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.17 37.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.485 ' HE1' ' C4A' ' A' ' 168' ' ' HEM . 26.7 m170 -72.51 -35.48 68.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -69.32 -137.15 0.09 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.408 ' HA ' ' HA3' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -86.03 39.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.49 -52.05 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 79.3 m -125.26 -87.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -42.52 -51.73 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.64 -63.91 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.5 t -59.02 -50.27 74.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 50.0 m170 -46.32 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.78 -20.67 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.2 tp10 -60.54 -52.72 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -100.48 2.85 42.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.08 4.71 5.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 7.8 mttt -101.33 155.37 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.89 162.44 37.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -67.33 122.3 9.54 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.275 3.316 . . . . 0.0 109.59 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.431 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 59.7 p -121.05 -9.62 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 157.0 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.49 158.43 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.96 -34.48 3.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -73.29 -19.99 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.519 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -111.49 -48.32 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -88.03 110.8 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -129.96 116.87 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.44 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.417 ' C2C' ' HB3' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.585 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -41.11 -30.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -76.16 116.47 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mt -128.18 128.45 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.27 120.19 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 27.9 mt -96.65 98.59 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 134.9 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.44 139.14 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 1.13 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -126.68 27.29 6.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.54 122.19 5.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.41 157.21 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -121.54 119.94 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -85.95 108.96 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 55.3 t80 -110.0 122.52 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -86.32 95.89 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.264 3.309 . . . . 0.0 109.595 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.498 ' O ' ' ND1' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.97 47.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.7 tttm -138.21 -67.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -22.8 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -80.9 3.94 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' PRO . 80.7 mt-30 -95.43 -54.73 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -29.18 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.228 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.8 -30.4 51.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.475 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.4 t -138.26 61.49 26.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.1 Cg_exo -39.78 -27.18 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.317 3.344 . . . . 0.0 109.631 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 60.7 t0 -79.36 113.24 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.24 -14.98 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 108.286 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.2 mttt -77.65 -4.1 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -68.93 -50.9 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.54 -53.32 3.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.258 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.3 m-70 -72.12 105.66 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.48 -49.51 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.14 30.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.63 169.15 45.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -52.67 141.2 54.27 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.323 3.349 . . . . 0.0 109.61 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 -179.66 18.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.64 19.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -107.95 118.59 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.3 132.11 35.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.41 -39.54 2.81 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 75.9 t80 -33.69 150.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.29 -159.27 26.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -58.29 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.1 -36.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.38 -56.66 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.24 -52.15 54.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.81 -34.21 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.23 -133.52 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.5 37.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -107.2 -53.36 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.5 m -126.03 -85.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -41.72 -49.6 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.15 -69.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.445 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.6 t -54.13 -45.69 72.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 41.4 m170 -51.94 -70.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.74 -22.98 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.1 tt0 -68.1 -55.19 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.4 mmm -84.56 -8.66 58.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.29 15.28 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.6 mmpt? -121.42 145.15 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.9 165.74 31.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -67.05 122.94 10.33 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.302 3.335 . . . . 0.0 109.611 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 58.6 p -123.0 -8.33 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.411 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 155.7 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.43 157.74 36.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.29 -34.61 3.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -72.74 -20.72 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.527 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -110.68 -48.37 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.22 101.03 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -101.64 114.99 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.431 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.457 ' C2B' ' CD1' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.563 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -35.9 -37.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -67.66 119.42 12.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -133.66 128.64 54.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -101.42 124.58 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.27 100.6 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 141.14 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.66 143.67 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 12.4 pttt -81.08 5.77 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -133.47 29.07 3.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.83 115.73 4.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -52.71 155.89 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.13 128.71 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 108.92 20.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' HD2' ' C2B' ' A' ' 154' ' ' HEM . 13.2 t80 -108.73 120.62 45.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -84.75 96.68 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.358 3.372 . . . . 0.0 109.625 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 66.1 t-80 -80.63 49.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.586 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -140.47 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.34 -23.99 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.77 0.89 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.3 mt-30 -95.65 -54.82 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -24.73 66.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.24 -28.8 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.0 t -139.16 62.37 25.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 68.3 Cg_exo -40.12 -27.45 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.333 3.355 . . . . 0.0 109.607 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.8 t70 -79.79 111.22 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -81.57 -13.33 58.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mttt -78.1 -4.16 45.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -68.31 -49.81 57.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 m -98.33 -52.98 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 93.6 m-70 -72.53 100.07 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.652 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -49.92 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -91.35 31.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 169.35 45.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -51.06 142.86 33.48 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.271 3.314 . . . . 0.0 109.607 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.5 -165.04 25.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 152.35 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.727 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.36 119.25 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.8 135.75 34.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.0 -36.25 4.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 69.5 t80 -38.47 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.82 -156.07 27.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.2 tttt -60.29 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.68 -36.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.8 tpt -69.89 -57.19 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.07 -52.62 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.9 m170 -70.17 -34.02 72.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.97 -134.28 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -86.98 39.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.24 -52.79 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.3 m -124.76 -86.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 3.3 mtmp? -41.46 -49.18 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -69.38 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 25.3 t -54.07 -43.66 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 52' ' ' LYS . 43.8 m170 -54.26 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 14.1 tt0 -66.63 -52.73 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mmm -91.44 -1.08 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 12.67 8.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.5 mmtt -116.24 146.72 42.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.45 166.78 35.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.37 123.79 10.94 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.6 p -123.8 -7.12 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.56 156.29 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.91 157.97 36.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 108.276 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -34.57 3.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -72.62 -19.17 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.518 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.59 -48.69 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.255 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -87.78 102.63 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -109.56 116.55 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HEM . . . . . 0.434 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' HEM . . . . . 0.458 ' C2B' ' HD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' HEM . . . . . 0.569 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.11 118.34 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.92 128.83 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.49 121.43 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.64 99.94 11.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 137.31 30.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -150.15 140.32 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 4.01 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -129.65 27.5 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.26 118.48 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.38 156.32 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 125.9 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 110.01 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -111.31 122.24 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.51 95.96 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.255 3.303 . . . . 0.0 109.547 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.0 t-80 -80.2 50.52 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 4.7 tttt -140.35 -68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.45 -24.4 20.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -77.46 -0.17 24.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.4 mt-30 -94.39 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -67.26 -26.66 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.69 -27.79 31.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -140.61 63.24 20.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.5 Cg_exo -41.04 -26.66 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.292 3.328 . . . . 0.0 109.601 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.64 115.53 18.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.58 -17.16 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 21.4 mttt -75.73 -5.24 44.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -53.38 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -94.55 -53.17 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.6 m-70 -71.31 105.25 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.88 -49.56 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -91.89 31.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.02 169.94 46.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.04 141.31 79.5 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 0.0 109.598 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.7 -165.89 25.74 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 151.48 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -107.71 119.11 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.25 132.41 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 104.72 -39.18 2.93 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 52.2 t80 -33.61 150.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.47 -160.39 27.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 47' ' ' HIS . 4.1 tttt -57.95 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.93 -37.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -69.31 -56.5 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -53.1 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.542 ' CD2' ' HG2' ' A' ' 43' ' ' LYS . 11.9 m-70 -69.49 -34.56 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.29 -133.18 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -86.83 37.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.71 -50.33 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -128.3 -86.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.6 mtmp? -42.19 -52.3 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -28.63 -64.84 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 47.5 t -58.74 -50.56 73.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.5 m170 -45.76 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.98 -21.06 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -60.31 -52.3 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -101.3 2.45 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.25 5.7 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.6 mmtt -102.39 148.07 25.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.44 162.88 37.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 36.4 Cg_endo -65.55 121.99 9.54 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.324 3.35 . . . . 0.0 109.595 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 61' ' ' GLY . 81.6 p -121.54 -8.83 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 157.0 16.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.98 157.69 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.346 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -34.44 3.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.8 tt0 -72.95 -18.56 61.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.11 -49.1 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.32 104.61 16.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 116.03 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.72 117.32 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 mt -130.49 128.75 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -98.31 121.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.8 mt -99.06 98.27 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 134.35 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -144.75 135.06 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -5.78 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.36 31.6 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.813 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.77 126.0 5.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -61.9 156.41 20.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.12 123.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.64 20.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -110.54 122.74 37.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.6 93.4 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.2 t-80 -78.46 51.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.584 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.3 tttp -141.32 -68.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.04 -25.58 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -76.1 -1.33 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.598 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.0 mt-30 -93.67 -52.01 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -67.88 -26.89 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.12 -28.36 29.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.45 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.6 t -139.38 62.45 24.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.3 Cg_exo -40.5 -27.24 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.325 3.35 . . . . 0.0 109.597 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -78.53 113.6 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.76 -15.65 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.6 mtmp? -76.87 -5.17 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -51.84 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -95.77 -53.1 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 108.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.87 103.01 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -83.53 -49.96 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -91.45 31.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.63 170.94 47.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -54.62 140.89 75.91 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.336 3.358 . . . . 0.0 109.56 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.2 -164.47 26.52 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -72.05 150.82 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.63 118.93 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -84.36 133.79 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.27 -36.93 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 70.6 t80 -38.12 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.42 -153.41 23.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.7 tttt -60.95 -78.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.87 -36.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.3 -57.54 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.12 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.1 m170 -70.92 -34.15 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.56 -134.96 0.35 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -86.28 39.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.03 -54.58 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.1 m -123.47 -85.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' CD ' ' HA ' ' A' ' 63' ' ' THR . 9.5 mtmm -42.49 -49.07 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.79 -67.49 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 11.3 t -55.29 -44.91 76.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.484 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.3 m170 -53.49 -71.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -55.4 -21.79 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 3.7 mm-40 -63.07 -52.8 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mmm -96.62 2.11 51.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 72.17 5.49 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -103.47 165.31 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' THR . . . 76.3 159.46 9.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 34.9 Cg_endo -64.16 122.5 10.5 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.297 3.331 . . . . 0.0 109.627 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 61' ' ' GLY . 43.8 p -120.51 -9.54 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.05 156.12 16.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.39 157.85 37.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.44 3.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -73.2 -19.35 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.28 -48.6 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.13 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -115.9 115.65 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.46 115.53 7.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.8 mt -128.9 128.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.94 121.03 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -98.19 95.8 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 135.57 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.25 141.23 27.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -78.93 3.69 16.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -132.14 29.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.0 121.95 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -58.71 156.53 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.71 122.0 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.01 109.17 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -109.88 122.94 37.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.55 93.7 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.285 3.324 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.0 t-80 -78.9 50.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 12.2 tttt -140.51 -68.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.01 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.67 0.04 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' PRO . 68.9 mt-30 -94.21 -53.15 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -67.41 -27.17 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.1 -28.54 32.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.6 t -139.44 62.59 24.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.0 Cg_exo -40.35 -27.11 0.24 Allowed 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.317 3.344 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.99 118.05 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.32 -18.31 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.252 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.8 mmmt -74.53 -4.87 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.47 -54.74 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -93.67 -53.02 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.0 m-70 -70.79 113.14 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.566 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -47.81 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -92.15 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.12 173.83 39.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.89 141.01 95.77 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.324 3.349 . . . . 0.0 109.669 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.29 -164.77 25.87 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 147.66 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.5 mt -103.26 119.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.52 131.18 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.91 -39.32 2.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.1 t80 -33.67 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.04 -160.5 28.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -57.94 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.99 -36.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.5 -56.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.31 -52.25 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.0 m170 -70.93 -34.26 71.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.0 -134.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.08 38.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.38 -55.12 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.5 m -123.57 -85.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -41.77 -48.65 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.21 -69.61 0.15 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 22.7 t -53.68 -44.76 69.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.579 ' HB3' HG22 ' A' ' 63' ' ' THR . 45.6 m170 -53.09 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.04 -22.99 43.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 23.1 tt0 -67.34 -54.79 17.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.6 mmm -86.09 -7.4 58.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.99 14.02 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 43.5 mttm -119.7 145.86 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 63' ' ' THR . . . 96.81 166.97 33.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.4 Cg_endo -68.97 123.02 9.92 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.282 3.322 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 55' ' ' HIS . 44.5 p -123.45 -8.09 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -95.04 156.37 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.88 157.85 36.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.77 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.2 tt0 -72.65 -19.95 61.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.59 -48.75 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.01 101.9 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.629 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -106.42 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.64 116.88 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.52 128.76 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -99.78 121.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt -98.85 97.56 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 135.72 25.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -147.45 134.98 20.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -6.61 36.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -119.9 29.18 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.29 124.51 5.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -60.44 156.12 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -119.9 121.35 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 107.32 18.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -107.25 122.71 40.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -86.7 93.78 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.353 3.369 . . . . 0.0 109.581 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 58.2 t-80 -79.48 49.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' CD ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -138.56 -68.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.97 -24.84 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -76.24 -1.49 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' PRO . 88.6 mt-30 -93.83 -52.92 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -67.19 -26.68 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.89 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 54.9 t -139.22 62.61 26.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' GLN . 68.8 Cg_exo -40.18 -27.34 0.23 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.345 3.363 . . . . 0.0 109.587 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.48 115.46 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.64 -16.19 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 12.5 mttp -76.84 -4.5 43.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -67.94 -52.04 40.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -95.76 -53.5 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.7 m-70 -70.84 109.49 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.88 -55.72 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.18 0.78 26.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.0 170.1 17.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.44 137.55 39.78 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.357 3.371 . . . . 0.0 109.556 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.22 -167.88 25.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 147.07 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -104.2 119.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 134.52 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.2 -37.07 3.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' GLY . 74.9 t80 -37.68 158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.4 -154.67 25.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -60.4 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.7 -36.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.14 -57.54 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.02 42.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.58 -136.6 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.18 -52.3 0.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.3 m -124.7 -86.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 53' ' ' GLY . 5.1 mtmp? -43.66 -51.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.54 -63.58 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.6 t -59.02 -50.45 74.03 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LYS . 57.0 m170 -46.15 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.52 -20.98 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tp10 -61.12 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mmm -99.46 4.91 46.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.17 2.46 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' O ' ' CA ' ' A' ' 55' ' ' HIS . 8.0 mmtt -99.5 166.66 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 63' ' ' THR . . . 76.36 156.02 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 27.5 Cg_endo -62.75 122.69 11.1 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.368 3.378 . . . . 0.0 109.571 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 61' ' ' GLY . 45.4 p -119.85 -9.99 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.06 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.28 157.7 37.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.21 3.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.8 tt0 -72.61 -18.85 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.27 -49.35 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -87.17 101.54 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -113.66 116.38 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tptt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.36 117.26 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -129.16 128.73 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -98.5 121.1 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -98.27 100.79 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 138.07 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.92 141.41 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 2.75 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.432 HD21 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -134.17 32.72 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.34 123.44 5.27 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.95 157.4 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -119.22 125.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.34 109.43 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -109.97 122.85 37.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.62 96.2 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.336 3.357 . . . . 0.0 109.619 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 63.1 t-80 -80.58 48.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 34.0 tptt -139.25 -68.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.11 -24.81 19.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -76.8 -0.71 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' PRO . 87.5 mt-30 -94.04 -53.63 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -67.43 -26.42 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -28.07 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.439 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.1 t -140.52 63.43 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLN . 72.8 Cg_exo -41.33 -26.52 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.314 3.343 . . . . 0.0 109.631 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 65.3 t0 -79.13 114.13 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.31 -16.64 39.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 8.3 mttt -75.94 -5.16 44.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -53.74 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -93.98 -53.25 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.48 106.44 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.555 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.53 -49.85 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -92.53 30.3 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.59 171.29 47.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.03 140.87 69.52 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.324 3.349 . . . . 0.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.79 -164.1 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.1 148.09 44.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.99 119.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.43 135.59 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.37 -36.32 4.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.6 t80 -37.85 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.72 -155.57 27.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CD2' ' A' ' 47' ' ' HIS . 4.0 tttt -59.97 -78.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.82 -37.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -69.69 -57.24 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.66 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CD2' ' HG2' ' A' ' 43' ' ' LYS . 11.3 m-70 -69.95 -34.49 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.19 -135.76 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -85.52 38.86 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.25 -50.98 0.69 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -126.35 -86.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -42.83 -51.81 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.04 -64.37 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 44.6 t -59.06 -50.39 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.4 m170 -45.73 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.649 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.67 -21.49 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.0 tp10 -60.19 -52.26 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.45 4.51 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.29 7.61 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -103.95 147.82 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 63' ' ' THR . . . 91.5 164.37 39.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.0 Cg_endo -65.75 122.06 9.58 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.265 3.31 . . . . 0.0 109.636 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 61' ' ' GLY . 60.1 p -122.13 -8.64 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.51 157.52 16.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.34 158.49 34.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 108.257 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.83 -34.68 3.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -72.33 -18.86 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.04 -49.04 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CD2' HD21 ' A' ' 10' ' ' ASN . 96.9 m-70 -87.38 103.47 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -113.08 116.35 29.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.99 115.71 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.3 mt -130.64 128.6 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -100.03 121.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -98.75 92.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 135.21 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -145.35 141.39 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 2.86 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -130.63 28.95 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.56 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.03 120.38 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -56.44 156.13 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.41 121.08 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -86.36 106.1 17.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 35.0 t80 -106.06 123.09 40.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' PHE . 85.7 Cg_endo -86.6 94.97 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 0.0 109.637 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 63.4 t-80 -80.16 48.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.616 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -137.47 -69.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.65 -24.21 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -77.27 0.12 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.618 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.4 mt-30 -95.07 -54.19 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -67.75 -25.97 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.9 -27.98 30.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -140.73 63.33 19.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.5 Cg_exo -41.03 -27.07 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.267 3.311 . . . . 0.0 109.624 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.64 114.06 17.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.34 -16.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -75.97 -5.57 46.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -66.96 -52.09 47.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 m -95.99 -53.41 3.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.0 m-70 -71.13 102.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -50.33 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -91.77 31.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.68 175.96 50.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -57.41 140.62 93.67 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.364 3.376 . . . . 0.0 109.565 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.34 -170.91 23.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 146.69 54.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.53 118.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -84.2 134.14 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.32 -36.57 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' GLY . 52.5 t80 -38.27 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.9 -157.42 29.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -59.3 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.7 tpt -69.48 -57.41 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.59 -52.96 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.6 m170 -69.69 -34.53 74.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.37 -135.32 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -85.55 39.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.59 -52.4 0.62 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -124.92 -86.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 mtmp? -43.14 -51.41 5.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.27 -64.38 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.9 t -59.11 -50.29 74.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.7 m170 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.15 -21.07 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.9 tp10 -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mmm -101.21 4.25 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.63 7.56 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 11.3 mmtm -104.83 147.4 27.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.08 164.35 37.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.9 Cg_endo -66.51 121.89 9.22 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.332 3.355 . . . . 0.0 109.626 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' GLY . 60.4 p -121.96 -8.54 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.75 157.01 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.84 157.55 37.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 108.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.14 -34.38 3.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.1 tt0 -72.97 -18.59 61.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 -49.08 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.32 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -110.32 116.87 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.54 118.46 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 mt -132.97 128.27 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -101.31 120.88 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -97.81 97.0 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -50.23 134.66 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.22 140.55 24.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 3.91 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -127.98 25.66 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.57 117.13 4.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -53.1 155.97 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.26 121.51 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.85 107.05 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -109.36 118.51 50.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -83.01 94.65 0.83 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.288 3.325 . . . . 0.0 109.613 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.29 51.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' GLN . 21.2 tttt -142.09 -67.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.84 -22.49 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -80.74 3.41 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.8 mt-30 -96.49 -53.91 3.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -66.89 -25.83 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.49 -30.0 30.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.0 t -137.77 62.17 33.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 66.4 Cg_exo -39.78 -27.64 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.358 3.372 . . . . 0.0 109.573 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.7 t70 -80.8 112.24 18.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.42 -13.45 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 10.1 mmtt -77.94 -4.14 45.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -67.99 -48.63 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -100.02 -53.51 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.2 m-70 -70.88 103.74 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -49.37 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.8 31.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.32 170.6 47.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.55 141.34 74.23 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.32 3.346 . . . . 0.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -168.9 24.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 151.14 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.3 mt -108.11 119.11 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 134.0 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.99 -36.92 3.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 40' ' ' GLY . 82.9 t80 -38.2 159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.87 -153.97 24.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.2 ttmt -60.35 -78.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.81 -36.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.67 -57.83 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.4 -52.1 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.14 -136.04 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.36 41.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -111.92 -55.05 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.84 -85.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -42.79 -48.24 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.48 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 13.7 t -54.39 -44.29 72.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.7 m170 -53.93 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -56.13 -22.63 29.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 27.7 tt0 -68.81 -54.93 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.1 mmm -85.21 -8.08 58.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 72.95 14.39 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -120.84 145.42 47.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 63' ' ' THR . . . 97.71 167.62 32.25 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 45.0 Cg_endo -68.45 123.4 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.32 3.347 . . . . 0.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 55' ' ' HIS . 69.2 p -123.44 -7.93 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -96.51 156.95 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.03 158.1 36.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.75 -34.91 3.59 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -72.49 -19.12 61.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.3 -49.14 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.16 104.29 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -116.15 116.75 28.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 116.52 4.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mt -132.35 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.91 121.01 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.7 mt -99.24 98.5 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 132.77 24.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -142.55 139.26 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.12 1.8 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -131.85 31.63 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.723 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.02 123.95 5.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.49 155.68 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.0 t -118.79 118.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 101.93 12.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 39.2 t80 -101.47 124.04 42.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 80.1 Cg_endo -86.29 93.75 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.502 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.2 t-80 -79.71 50.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.607 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -141.22 -68.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -53.64 -22.17 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -80.75 3.56 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.1 mt-30 -94.41 -54.44 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -29.98 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -29.79 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 46.6 t -138.67 61.94 26.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.6 Cg_exo -40.65 -26.62 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.299 3.333 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.6 t70 -81.28 113.36 19.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.55 -14.39 52.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -77.03 -4.32 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.0 mmtt -68.51 -50.57 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 m -97.76 -53.48 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.3 m-70 -71.64 102.88 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.31 -49.61 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -91.43 30.59 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.93 173.38 49.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -55.98 141.03 86.85 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.308 3.339 . . . . 0.0 109.596 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -171.01 23.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 150.21 48.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -107.03 119.55 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.35 -37.56 3.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 73.0 t80 -38.44 160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.93 -154.85 25.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -59.94 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.98 -36.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.61 -57.78 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.23 -52.51 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -71.32 -33.96 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.69 -137.01 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -84.18 42.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.11 -54.99 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.1 m -121.97 -86.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 mtmp? -44.1 -49.8 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.98 -65.26 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.7 t -57.88 -48.0 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 58.7 m170 -48.16 -72.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.01 -21.57 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -61.08 -51.98 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mmm -100.53 3.89 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? 68.26 8.1 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -105.75 147.18 28.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 165.95 37.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.0 Cg_endo -70.03 121.89 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 0.0 109.596 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 55' ' ' HIS . 43.7 p -121.53 -8.83 9.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 157.4 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.21 158.64 36.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.67 -34.77 3.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.6 tt0 -72.71 -18.93 61.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.61 -48.86 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.89 102.67 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 116.42 31.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 119.37 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mt -130.31 129.03 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -95.72 121.5 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 mt -99.49 96.62 7.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 136.42 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -149.03 140.09 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 3.42 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.92 28.72 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.19 117.94 4.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.82 155.69 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.88 122.66 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 108.24 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -109.62 122.43 39.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.72 97.21 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 62.7 t-80 -81.19 48.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.619 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 20.7 tttt -138.13 -68.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.23 -23.36 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -78.47 0.79 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' PRO . 65.6 mt-30 -95.41 -53.68 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -67.03 -26.62 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.34 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 57.0 t -138.56 62.14 27.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 64.1 Cg_exo -39.46 -27.97 0.18 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.326 3.351 . . . . 0.0 109.639 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.4 t70 -80.1 114.41 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 m -83.77 -14.22 52.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.3 mtmt -77.73 -4.05 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -68.32 -48.19 65.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -100.35 -54.04 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.86 110.81 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.89 -48.28 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.16 26.26 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.24 174.22 42.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.09 143.25 96.84 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.362 3.375 . . . . 0.0 109.583 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.25 -164.49 25.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 152.06 44.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.19 119.15 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.17 134.97 35.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.6 -36.79 3.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' GLY . 71.0 t80 -38.5 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 -154.69 25.69 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.6 tttt -60.16 -78.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.62 -36.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.32 -57.81 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.06 -52.55 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.78 -137.13 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 42.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -113.34 -53.98 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.6 m -123.33 -85.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' GLY . 4.1 mtmp? -45.04 -50.88 10.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.95 -64.18 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 45.2 t -58.97 -49.68 76.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.5 m170 -46.36 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.9 -20.96 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.6 tp10 -60.58 -52.17 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.37 4.65 41.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.34 7.63 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 mmtt -104.45 147.58 27.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.53 163.91 37.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 39.3 Cg_endo -66.32 122.65 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.327 3.351 . . . . 0.0 109.572 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 61' ' ' GLY . 59.0 p -122.48 -8.43 8.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -97.28 156.71 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 157.46 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.48 3.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.4 tt0 -72.76 -18.96 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.67 -48.8 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.64 105.13 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -116.41 116.38 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 116.72 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.4 mt -129.48 127.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.75 121.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.0 mt -100.07 100.78 11.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.64 135.27 46.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -143.3 145.81 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 7.09 13.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.466 HD21 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -138.23 31.86 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.625 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.61 123.04 5.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.65 157.3 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.35 123.21 71.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 104.86 17.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.0 t80 -105.92 123.65 38.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 82.4 Cg_endo -87.23 94.15 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.325 3.35 . . . . 0.0 109.571 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.6 t-80 -79.33 50.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.568 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.6 tttt -140.9 -68.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -22.17 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -79.66 1.87 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 57.5 mt-30 -96.05 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -26.35 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.95 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.5 t -137.56 62.23 34.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLN . 63.1 Cg_exo -39.49 -27.89 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.321 3.347 . . . . 0.0 109.579 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' VAL . 28.8 t70 -80.59 113.37 18.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.78 -14.15 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 3.8 mtmm -77.38 -3.94 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -49.54 61.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.21 -53.82 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.1 m-70 -70.01 108.18 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.59 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.56 -55.39 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.64 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 169.83 18.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.37 139.01 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.296 3.331 . . . . 0.0 109.579 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.79 -164.46 25.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 147.89 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -104.0 119.06 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 133.84 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 102.94 -38.44 3.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.9 t80 -34.26 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.22 -162.52 32.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -56.75 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.63 -36.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.16 -56.85 5.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.0 -52.68 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.8 m170 -70.15 -34.58 73.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.57 -132.88 0.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -86.93 38.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.77 -54.49 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.36 -86.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 3.9 mtmp? -41.6 -48.66 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -67.28 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 13.9 t -55.69 -44.16 77.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 47.7 m170 -53.86 -71.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.58 -21.56 10.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 2.8 mm-40 -62.5 -51.88 65.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmm -98.64 0.56 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -105.61 148.17 27.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 63' ' ' THR . . . 91.85 164.77 38.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 39.3 Cg_endo -66.41 123.37 11.05 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.272 3.315 . . . . 0.0 109.627 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' GLY . 64.3 p -122.93 -8.46 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -97.21 156.51 16.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.4 157.99 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 108.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.7 -34.56 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.9 tt0 -72.4 -18.07 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -113.8 -49.69 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CD2' HD21 ' A' ' 10' ' ' ASN . 96.9 m-70 -86.84 100.47 12.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 116.2 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.89 118.26 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -132.01 128.59 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.9 t -100.32 121.05 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 mt -97.76 94.7 7.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 137.78 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -150.22 136.24 18.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -72.15 -4.37 28.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -121.71 28.02 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.684 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.02 124.33 5.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.82 156.61 16.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -120.99 119.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -83.89 108.75 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -110.2 118.28 49.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -83.11 96.33 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.325 3.35 . . . . 0.0 109.589 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 62.3 t-80 -79.27 49.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -140.32 -66.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.42 -24.03 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.16 2.4 24.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' LYS . 83.5 mt-30 -96.59 -53.79 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -67.9 -24.62 65.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.87 -30.33 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.9 t -138.28 63.87 37.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 74.1 Cg_exo -41.72 -26.19 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.287 3.324 . . . . 0.0 109.609 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.1 t0 -78.58 112.15 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.97 -17.19 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.5 mttp -75.43 -6.14 48.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.92 -53.3 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.2 -52.6 4.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 108.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.4 m-70 -72.94 100.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 -50.43 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -91.71 31.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.07 172.2 48.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -52.39 141.62 50.21 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.34 . . . . 0.0 109.555 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.07 -178.59 19.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 148.17 35.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.15 118.6 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -85.06 129.1 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.21 -40.44 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 68.0 t80 -33.83 150.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.62 -160.52 29.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.1 tttt -57.76 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.35 -37.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' CA ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -70.16 -57.39 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.8 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.6 m170 -71.24 -34.25 70.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.45 -133.28 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.06 38.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.461 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.58 -53.23 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.0 m -125.59 -85.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -42.5 -49.28 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.42 -66.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 9.0 t -55.89 -45.13 78.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 45.8 m170 -53.23 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.18 -21.97 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.9 mm-40 -64.53 -52.88 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 mmm -95.1 -3.28 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 72.43 9.96 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.4 mmpt? -109.3 147.28 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.05 165.26 38.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.3 Cg_endo -65.61 121.76 9.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.317 3.345 . . . . 0.0 109.621 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 61' ' ' GLY . 69.0 p -121.1 -9.28 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -97.48 157.0 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 159.2 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.6 -34.78 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -72.62 -20.25 61.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.48 -48.38 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.32 101.16 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.98 116.04 29.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.84 115.77 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mt -128.7 128.13 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.54 120.41 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -97.25 95.97 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 135.08 25.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.95 137.64 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -74.19 -1.98 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -124.32 28.19 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.67 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.74 123.75 5.29 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.78 156.25 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.34 117.77 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' H ' ' NZ ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -85.21 106.89 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.8 t80 -106.38 123.51 38.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 98.6 Cg_endo -86.28 95.66 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.256 3.304 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.7 t-80 -80.53 47.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -139.04 -67.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.28 -23.59 15.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.03 1.43 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' PRO . 70.7 mt-30 -95.19 -53.89 3.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -66.7 -26.5 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.6 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.445 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.8 t -138.05 62.43 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 67.7 Cg_exo -40.15 -27.24 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 23.7 t70 -80.44 113.6 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.06 -13.41 53.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 34.2 mttt -78.63 -3.16 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.1 mmtm -69.28 -49.78 52.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -97.97 -53.58 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.3 108.24 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -88.1 -48.91 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -92.43 28.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.3 169.8 44.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.05 139.6 80.02 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.313 3.342 . . . . 0.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.28 -174.34 23.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 148.06 48.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.3 mt -104.81 118.73 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.66 131.28 34.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 106.17 -39.56 2.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 55.6 t80 -33.54 150.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.17 -159.91 27.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.9 tttt -57.91 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.86 -36.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.62 -56.91 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.1 -51.84 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.3 m170 -71.12 -34.06 70.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.08 -133.47 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.0 38.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -108.46 -55.19 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.9 m -123.97 -85.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -42.05 -48.46 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.25 -69.6 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 15.9 t -53.8 -44.68 70.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.53 ' HB3' HG22 ' A' ' 63' ' ' THR . 42.6 m170 -53.63 -71.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -55.93 -23.36 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.4 tt0 -67.89 -54.22 20.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 mmm -87.17 -3.99 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 15.26 9.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 5.8 mmtp -119.76 145.84 46.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 63' ' ' THR . . . 96.06 166.69 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.6 Cg_endo -68.39 123.09 10.16 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.36 3.374 . . . . 0.0 109.588 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 55' ' ' HIS . 69.8 p -122.65 -9.62 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 157.25 16.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 158.59 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -35.18 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -72.83 -20.7 61.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.427 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -110.65 -47.76 3.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.23 98.42 11.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' NZ ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -117.43 118.11 31.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.21 121.25 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.3 mt -132.32 129.37 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.67 121.1 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -97.92 99.95 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.71 132.51 31.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -141.9 142.39 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.6 6.84 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.422 HD21 ' CD2' ' A' ' 69' ' ' HIS . 8.9 p-10 -138.04 32.59 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.654 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.29 122.15 5.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.71 156.68 16.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -119.95 124.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.0 111.38 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -112.6 118.23 45.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.29 96.14 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.283 3.322 . . . . 0.0 109.65 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 62.9 t-80 -79.14 48.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.607 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLN . 10.3 tptt -138.08 -68.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.16 13.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -79.49 2.04 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.4 mt-30 -96.34 -54.14 3.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.47 29.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 60.1 t -140.5 63.79 22.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 70.5 Cg_exo -41.3 -26.51 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.252 3.301 . . . . 0.0 109.605 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.9 t0 -78.82 114.45 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.18 -16.8 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 11.0 mttt -76.18 -5.35 46.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -52.81 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.76 -53.29 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.2 m-70 -71.67 105.24 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -49.71 7.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -91.97 27.3 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.52 172.46 46.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -52.11 141.97 46.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.369 3.38 . . . . 0.0 109.576 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.9 -176.9 19.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -60.39 151.2 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.68 119.2 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.42 133.76 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.11 -37.68 3.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' GLY . 83.9 t80 -38.62 160.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.38 -154.51 25.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.3 tttt -60.1 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.46 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.74 -57.98 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.96 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.71 -34.37 69.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.575 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.03 -138.24 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -83.71 43.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.0 -56.47 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.6 m -121.0 -84.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 2.5 mtmp? -45.11 -48.73 12.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -66.67 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.6 t -56.18 -44.79 79.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.531 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.0 m170 -52.39 -72.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.99 -21.67 12.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 3.3 mm-40 -63.14 -52.38 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mmm -96.58 0.22 49.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.3 8.37 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -107.91 147.82 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.13 165.04 38.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 44.2 Cg_endo -67.5 122.06 9.23 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.297 3.332 . . . . 0.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 55' ' ' HIS . 44.5 p -122.02 -8.43 8.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -96.15 156.85 16.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.17 157.89 36.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.15 -34.78 3.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.6 tt0 -72.95 -19.62 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.78 -48.67 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.422 ' CD2' HD21 ' A' ' 10' ' ' ASN . 97.0 m-70 -88.14 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -115.17 116.81 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mttm . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.2 116.65 13.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.07 127.46 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.38 120.26 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.85 110.62 23.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 135.85 57.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.58 139.72 25.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -75.24 -0.99 21.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -125.94 29.3 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.662 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.35 125.41 5.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.38 157.37 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.65 125.91 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 109.6 20.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -111.46 119.01 46.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.85 95.49 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.326 3.351 . . . . 0.0 109.592 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.12 48.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.5 ttpp -139.59 -66.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.15 -23.82 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -79.59 2.38 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LYS . 85.3 mt-30 -95.97 -53.67 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.55 -26.18 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.67 -29.07 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 t -139.52 65.13 32.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 79.0 Cg_exo -43.3 -25.07 0.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.316 3.344 . . . . 0.0 109.578 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.0 t0 -80.14 112.25 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.38 -16.17 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.9 mtmm -76.17 -5.77 48.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.292 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.6 m-70 -73.2 101.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.631 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.55 -50.2 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -91.89 31.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.44 172.9 49.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -53.53 142.16 60.44 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.301 3.334 . . . . 0.0 109.58 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.89 -172.83 22.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 152.01 44.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.6 mt -108.45 118.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -81.76 133.33 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.02 -37.81 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 67.4 t80 -39.5 162.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -152.56 23.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 5.1 tttt -60.98 -78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.97 -35.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' LYS . 2.0 tpt -70.98 -58.21 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.54 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m170 -72.16 -34.5 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.37 -137.46 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -84.06 44.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.6 -57.25 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -120.87 -83.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 2.2 mtmt -45.24 -47.25 12.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.72 -69.4 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.7 t -53.66 -43.24 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.555 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.3 m170 -54.11 -70.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -59.05 -21.22 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 17.4 tt0 -66.54 -53.71 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmm -89.04 -5.59 57.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.07 12.31 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 23.3 mmtt -117.7 145.96 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.02 167.14 31.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 67.5 Cg_endo -71.54 122.74 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.297 3.331 . . . . 0.0 109.556 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 55' ' ' HIS . 39.0 p -122.43 -8.94 8.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 156.88 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.29 159.15 35.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.37 -34.78 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.9 tt0 -72.73 -19.09 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.44 -49.1 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -87.3 101.3 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -119.59 115.82 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 119.62 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.11 129.1 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.2 t -101.77 121.17 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.51 91.73 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 138.91 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.64 139.54 25.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -2.62 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -130.18 34.78 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.907 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.5 128.58 6.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.2 156.94 32.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.6 119.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -83.64 109.73 17.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -111.5 117.07 49.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -82.97 93.11 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.27 3.313 . . . . 0.0 109.629 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -77.02 52.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -140.33 -69.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.4 -21.55 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -81.51 4.71 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 34.7 mt-30 -96.14 -55.09 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.86 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.05 53.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.478 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -137.54 61.01 28.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.9 Cg_exo -38.81 -27.62 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.296 0 C-N-CA 124.343 3.362 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -77.77 113.99 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.45 -18.29 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.3 OUTLIER -74.68 -5.51 43.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -53.33 29.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -94.82 -53.09 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.1 m-70 -71.66 104.53 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.608 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -49.36 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.55 31.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.73 174.14 49.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.96 141.86 96.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.33 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.51 -170.18 23.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 151.65 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.0 mt -108.34 119.24 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.36 132.16 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 105.14 -38.38 3.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 34.5 t80 -38.17 159.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 163.77 -151.15 20.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -62.4 -78.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.8 -36.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -71.18 -57.48 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.7 -51.67 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.6 m170 -72.16 -34.14 68.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.9 -136.12 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.73 40.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.22 -56.14 0.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -121.73 -86.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.0 mtmt -42.67 -48.49 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.4 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.7 t -55.22 -45.08 75.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB3' HG22 ' A' ' 63' ' ' THR . 45.5 m170 -52.33 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -54.18 -22.63 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 5.8 mm-40 -65.66 -54.19 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmm -90.65 -3.94 57.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.37 11.89 6.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.2 mtpm? -113.71 146.6 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 63' ' ' THR . . . 94.34 165.73 36.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 57.6 Cg_endo -68.98 121.96 8.83 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.38 3.387 . . . . 0.0 109.613 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.583 HG22 ' HB3' ' A' ' 55' ' ' HIS . 41.4 p -121.62 -9.64 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 156.97 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.1 158.23 36.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.43 3.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -73.94 -21.33 60.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -46.97 3.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 108.361 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -90.57 98.46 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -114.93 122.94 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 116.89 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.2 128.69 64.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.21 119.82 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 mt -97.46 98.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 133.12 28.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -142.81 141.39 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -78.97 4.21 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -134.07 30.67 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.69 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.65 124.24 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.93 156.35 17.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -119.45 119.71 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 105.6 16.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -107.1 118.99 52.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.15 94.93 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.315 3.343 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.67 50.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.619 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.8 tptt -139.79 -68.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.44 -22.46 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -81.28 5.08 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -95.93 -54.65 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -28.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -31.65 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 47.6 t -137.21 60.97 30.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.6 Cg_exo -38.84 -27.69 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.36 . . . . 0.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' VAL . 49.4 t0 -80.09 116.93 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.42 -17.69 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mtpt -74.33 -4.15 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -68.13 -54.33 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 m -95.07 -53.55 3.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.84 114.2 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.643 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -47.94 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -91.33 30.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 92.85 172.09 40.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -66.16 134.06 35.26 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.35 . . . . 0.0 109.605 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.13 -161.08 28.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 150.72 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.25 119.35 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.07 132.22 34.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.23 -39.16 2.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' GLY . 71.4 t80 -33.37 149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -160.05 27.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.2 tttt -57.9 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.05 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.71 -52.92 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.0 -33.71 72.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.15 -132.42 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -88.11 36.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.0 -52.6 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.74 -85.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 2.8 mtmt -40.93 -50.37 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.15 -70.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 49.6 t -54.34 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -50.09 -70.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -57.1 -23.93 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 11.5 tt0 -69.09 -57.06 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.0 mmm -80.48 -10.21 59.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 16.61 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.8 mttt -124.3 144.39 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 63' ' ' THR . . . 99.79 166.72 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 42.9 Cg_endo -67.6 122.91 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.325 3.35 . . . . 0.0 109.59 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 55' ' ' HIS . 82.2 p -122.93 -8.06 8.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.89 156.64 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 157.4 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.46 -34.39 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.3 tt0 -72.62 -20.71 61.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.75 -48.64 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.86 100.83 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.82 116.19 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.29 116.69 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.58 129.1 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.23 121.7 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.32 100.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -51.74 136.71 27.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -148.74 139.54 22.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.15 1.16 19.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 2.4 t30 -125.5 23.98 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 105.97 118.81 4.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -51.76 155.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.64 123.24 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.1 102.99 15.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -102.75 122.89 44.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -87.08 92.96 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 0.0 109.565 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.3 t-80 -79.06 50.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -140.17 -67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.61 -23.02 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.0 1.42 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 75.7 mt-30 -95.23 -53.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -26.52 66.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.38 -29.07 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 51.2 t -138.79 62.92 30.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 69.7 Cg_exo -40.5 -27.06 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.282 3.321 . . . . 0.0 109.651 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' VAL . 25.0 t0 -81.17 114.62 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -84.08 -14.31 50.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.5 mtmp? -77.09 -3.76 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -50.17 54.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -98.59 -53.69 3.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.6 m-70 -70.1 110.19 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.7 -48.6 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -92.53 28.65 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.61 176.84 45.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.16 139.87 86.13 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.337 3.358 . . . . 0.0 109.6 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.59 -173.4 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 147.28 45.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.4 mt -104.19 119.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.87 133.84 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.91 -37.05 3.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.5 t80 -38.42 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.14 -155.35 26.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -60.27 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.25 -36.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.35 -57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -52.68 47.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.8 -33.66 70.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.25 -134.48 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 39.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.99 -54.33 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.6 m -122.95 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 5.4 mtmt -42.18 -48.4 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.28 -67.57 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 13.1 t -55.48 -43.83 75.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 46.4 m170 -54.18 -72.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.34 -21.85 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 3.9 mm-40 -64.06 -52.06 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmm -96.17 -1.69 47.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 9.4 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -109.35 147.45 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.4 165.41 37.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.7 Cg_endo -66.31 123.43 11.17 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.266 3.311 . . . . 0.0 109.594 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 61' ' ' GLY . 71.4 p -122.42 -8.67 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.65 157.85 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 158.44 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.45 -35.65 3.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.7 tt0 -71.83 -19.73 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.78 -49.61 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.3 m-70 -86.49 106.5 17.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -106.75 115.3 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.33 117.76 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 mt -130.61 128.55 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -97.48 119.63 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 mt -95.75 113.94 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 132.28 48.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -148.16 135.39 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -6.32 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.63 25.43 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.01 125.53 5.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.89 156.94 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.24 130.23 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 3.3 tmtt? -92.13 113.64 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -115.28 122.56 32.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -86.84 92.73 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.354 3.369 . . . . 0.0 109.582 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.4 t-80 -77.61 51.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -141.78 -68.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.92 -24.91 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -76.02 -1.63 26.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.3 mt-30 -93.66 -52.28 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -66.95 -26.97 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.67 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -139.33 62.73 26.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.1 Cg_exo -40.6 -27.14 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.274 3.316 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 25.0 t70 -79.58 114.12 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.82 -15.21 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.5 mtmt -77.04 -3.81 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -68.14 -52.0 39.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 m -96.68 -54.0 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 108.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.6 m-70 -69.74 114.68 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.659 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.46 -48.05 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -91.56 30.01 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 94.44 172.02 38.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.61 138.37 45.34 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.278 3.318 . . . . 0.0 109.613 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.35 -161.98 27.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 152.54 45.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.09 118.76 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.78 128.58 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.49 -41.16 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' GLY . 82.0 t80 -33.11 149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.65 -162.94 32.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' GLU . 2.8 tttt -52.18 -77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.66 -38.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -54.42 10.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.17 37.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.51 -35.48 68.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -69.32 -137.15 0.09 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.03 39.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.49 -52.05 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.3 m -125.26 -87.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -42.52 -51.73 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.64 -63.91 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.5 t -59.02 -50.27 74.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 50.0 m170 -46.32 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.78 -20.67 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.2 tp10 -60.54 -52.72 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -100.48 2.85 42.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.08 4.71 5.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 7.8 mttt -101.33 155.37 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 63' ' ' THR . . . 86.89 162.44 37.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.413 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 50.1 Cg_endo -67.33 122.3 9.54 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.275 3.316 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.468 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 59.7 p -121.05 -9.62 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 157.0 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.49 158.43 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.96 -34.48 3.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.4 tt0 -73.29 -19.99 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -48.32 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -88.03 110.8 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -129.96 116.87 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.16 116.47 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mt -128.18 128.45 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.27 120.19 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.9 mt -96.65 98.59 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 134.9 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -147.44 139.14 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 1.13 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -126.68 27.29 6.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.54 122.19 5.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.41 157.21 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -121.54 119.94 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -85.95 108.96 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -110.0 122.52 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -86.32 95.89 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.264 3.309 . . . . 0.0 109.595 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.97 47.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.7 tttm -138.21 -67.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -22.8 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -80.9 3.94 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' PRO . 80.7 mt-30 -95.43 -54.73 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -29.18 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.228 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.8 -30.4 51.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.48 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.4 t -138.26 61.49 26.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.1 Cg_exo -39.78 -27.18 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.317 3.344 . . . . 0.0 109.631 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 60.7 t0 -79.36 113.24 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.24 -14.98 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 108.286 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.2 mttt -77.65 -4.1 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -68.93 -50.9 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.54 -53.32 3.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.258 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.3 m-70 -72.12 105.66 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.48 -49.51 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.14 30.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.63 169.15 45.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -52.67 141.2 54.27 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.323 3.349 . . . . 0.0 109.61 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 -179.66 18.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.64 19.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -107.95 118.59 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.3 132.11 35.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.41 -39.54 2.81 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 75.9 t80 -33.69 150.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.29 -159.27 26.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.597 ' HG2' ' CD2' ' A' ' 47' ' ' HIS . 3.9 tttt -58.29 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.1 -36.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.38 -56.66 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.24 -52.15 54.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.597 ' CD2' ' HG2' ' A' ' 43' ' ' LYS . 12.0 m-70 -70.81 -34.21 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.23 -133.52 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.5 37.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -107.2 -53.36 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.5 m -126.03 -85.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -41.72 -49.6 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.15 -69.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.6 t -54.13 -45.69 72.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 41.4 m170 -51.94 -70.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.74 -22.98 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.1 tt0 -68.1 -55.19 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.4 mmm -84.56 -8.66 58.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.29 15.28 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.6 mmpt? -121.42 145.15 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 63' ' ' THR . . . 97.9 165.74 31.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 43.3 Cg_endo -67.05 122.94 10.33 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.302 3.335 . . . . 0.0 109.611 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 55' ' ' HIS . 58.6 p -123.0 -8.33 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.411 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 155.7 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.43 157.74 36.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.29 -34.61 3.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.5 tt0 -72.74 -20.72 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 -48.37 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.22 101.03 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.629 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -101.64 114.99 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.66 119.42 12.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -133.66 128.64 54.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -101.42 124.58 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.27 100.6 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 141.14 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.66 143.67 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -81.08 5.77 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -133.47 29.07 3.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.83 115.73 4.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -52.71 155.89 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.13 128.71 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 108.92 20.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -108.73 120.62 45.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -84.75 96.68 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.358 3.372 . . . . 0.0 109.625 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 66.1 t-80 -80.63 49.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.586 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -140.47 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.34 -23.99 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.77 0.89 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.3 mt-30 -95.65 -54.82 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -24.73 66.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.24 -28.8 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.0 t -139.16 62.37 25.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 68.3 Cg_exo -40.12 -27.45 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.333 3.355 . . . . 0.0 109.607 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.8 t70 -79.79 111.22 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -81.57 -13.33 58.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 8.2 mttt -78.1 -4.16 45.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -68.31 -49.81 57.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 m -98.33 -52.98 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.6 m-70 -72.53 100.07 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.652 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -49.92 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -91.35 31.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 169.35 45.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -51.06 142.86 33.48 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.271 3.314 . . . . 0.0 109.607 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.5 -165.04 25.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 152.35 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.727 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.36 119.25 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.8 135.75 34.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.0 -36.25 4.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 69.5 t80 -38.47 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.82 -156.07 27.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.2 tttt -60.29 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.68 -36.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.8 tpt -69.89 -57.19 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.07 -52.62 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.9 m170 -70.17 -34.02 72.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.97 -134.28 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -86.98 39.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.24 -52.79 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.3 m -124.76 -86.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 3.3 mtmp? -41.46 -49.18 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -69.38 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 25.3 t -54.07 -43.66 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.52 ' HB3' HG22 ' A' ' 63' ' ' THR . 43.8 m170 -54.26 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 14.1 tt0 -66.63 -52.73 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mmm -91.44 -1.08 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 12.67 8.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.5 mmtt -116.24 146.72 42.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 63' ' ' THR . . . 95.45 166.78 35.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 47.0 Cg_endo -68.37 123.79 10.94 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 55' ' ' HIS . 71.6 p -123.8 -7.12 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.56 156.29 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.91 157.97 36.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 108.276 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -34.57 3.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.7 tt0 -72.62 -19.17 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.59 -48.69 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.255 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.78 102.63 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -109.56 116.55 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -122.58 -40.5 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.11 118.34 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.92 128.83 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.49 121.43 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 26.7 mt -97.64 99.94 11.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 137.31 30.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -150.15 140.32 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' CGA' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -79.14 4.01 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -129.65 27.5 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.26 118.48 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.38 156.32 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 125.9 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 110.01 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 56.5 t80 -111.31 122.24 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.51 95.96 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.255 3.303 . . . . 0.0 109.547 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.0 t-80 -80.2 50.52 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 4.7 tttt -140.35 -68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.45 -24.4 20.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -77.46 -0.17 24.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.4 mt-30 -94.39 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -67.26 -26.66 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.69 -27.79 31.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -140.61 63.24 20.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.5 Cg_exo -41.04 -26.66 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.292 3.328 . . . . 0.0 109.601 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.64 115.53 18.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.58 -17.16 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 21.4 mttt -75.73 -5.24 44.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -53.38 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -94.55 -53.17 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.6 m-70 -71.31 105.25 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.88 -49.56 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -91.89 31.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.02 169.94 46.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.04 141.31 79.5 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 0.0 109.598 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.7 -165.89 25.74 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 151.48 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -107.71 119.11 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.25 132.41 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 104.72 -39.18 2.93 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 52.2 t80 -33.61 150.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.47 -160.39 27.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 4.1 tttt -57.95 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.93 -37.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -69.31 -56.5 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -53.1 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.9 m170 -69.49 -34.56 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.29 -133.18 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -86.83 37.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.71 -50.33 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -128.3 -86.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.556 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 2.6 mtmp? -42.19 -52.3 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -28.63 -64.84 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 47.5 t -58.74 -50.56 73.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.5 m170 -45.76 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.98 -21.06 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -60.31 -52.3 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -101.3 2.45 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.25 5.7 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.6 mmtt -102.39 148.07 25.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.44 162.88 37.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 36.4 Cg_endo -65.55 121.99 9.54 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.324 3.35 . . . . 0.0 109.595 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 61' ' ' GLY . 81.6 p -121.54 -8.83 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 157.0 16.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.98 157.69 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.346 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -34.44 3.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.8 tt0 -72.95 -18.56 61.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.525 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.11 -49.1 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.32 104.61 16.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 116.03 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.453 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.635 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.569 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -37.37 -39.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.72 117.32 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 mt -130.49 128.75 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -98.31 121.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.8 mt -99.06 98.27 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 134.35 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -144.75 135.06 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -5.78 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.36 31.6 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.813 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.77 126.0 5.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -61.9 156.41 20.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.12 123.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.64 20.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -110.54 122.74 37.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.6 93.4 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.2 t-80 -78.46 51.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.584 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.3 tttp -141.32 -68.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.04 -25.58 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -76.1 -1.33 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.598 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.0 mt-30 -93.67 -52.01 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -67.88 -26.89 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.12 -28.36 29.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.45 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.6 t -139.38 62.45 24.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.3 Cg_exo -40.5 -27.24 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.325 3.35 . . . . 0.0 109.597 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -78.53 113.6 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.76 -15.65 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.6 mtmp? -76.87 -5.17 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -51.84 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -95.77 -53.1 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 108.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.87 103.01 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -83.53 -49.96 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -91.45 31.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.63 170.94 47.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -54.62 140.89 75.91 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.336 3.358 . . . . 0.0 109.56 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.2 -164.47 26.52 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -72.05 150.82 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.63 118.93 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -84.36 133.79 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.27 -36.93 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 70.6 t80 -38.12 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.42 -153.41 23.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.7 tttt -60.95 -78.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.87 -36.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.3 -57.54 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.12 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.1 m170 -70.92 -34.15 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.56 -134.96 0.35 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -86.28 39.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.03 -54.58 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 78.1 m -123.47 -85.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.706 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 9.5 mtmm -42.49 -49.07 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.79 -67.49 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.457 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 11.3 t -55.29 -44.91 76.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.484 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.3 m170 -53.49 -71.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -55.4 -21.79 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 3.7 mm-40 -63.07 -52.8 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mmm -96.62 2.11 51.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 72.17 5.49 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -103.47 165.31 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' THR . . . 76.3 159.46 9.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 34.9 Cg_endo -64.16 122.5 10.5 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.297 3.331 . . . . 0.0 109.627 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 61' ' ' GLY . 43.8 p -120.51 -9.54 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.05 156.12 16.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.39 157.85 37.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.44 3.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -73.2 -19.35 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.531 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -112.28 -48.6 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.13 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -115.9 115.65 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.447 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.474 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.706 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -169.87 -41.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.46 115.53 7.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.595 HD11 ' O1A' ' A' ' 130' ' ' HEM . 13.8 mt -128.9 128.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.94 121.03 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -98.19 95.8 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 135.57 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.25 141.23 27.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -78.93 3.69 16.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -132.14 29.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.0 121.95 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -58.71 156.53 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.71 122.0 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.01 109.17 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 42.4 t80 -109.88 122.94 37.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.55 93.7 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.285 3.324 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.0 t-80 -78.9 50.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 12.2 tttt -140.51 -68.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.01 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.67 0.04 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' PRO . 68.9 mt-30 -94.21 -53.15 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -67.41 -27.17 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.1 -28.54 32.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.6 t -139.44 62.59 24.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.0 Cg_exo -40.35 -27.11 0.24 Allowed 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.317 3.344 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.99 118.05 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.32 -18.31 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.252 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.8 mmmt -74.53 -4.87 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.47 -54.74 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -93.67 -53.02 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.0 m-70 -70.79 113.14 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.566 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -47.81 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -92.15 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.12 173.83 39.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.89 141.01 95.77 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.324 3.349 . . . . 0.0 109.669 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.29 -164.77 25.87 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 147.66 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.5 mt -103.26 119.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.52 131.18 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.91 -39.32 2.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.1 t80 -33.67 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.04 -160.5 28.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -57.94 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.99 -36.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.5 -56.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.31 -52.25 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.0 m170 -70.93 -34.26 71.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.0 -134.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.08 38.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.38 -55.12 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.5 m -123.57 -85.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.653 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.1 OUTLIER -41.77 -48.65 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.21 -69.61 0.15 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 22.7 t -53.68 -44.76 69.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.579 ' HB3' HG22 ' A' ' 63' ' ' THR . 45.6 m170 -53.09 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.04 -22.99 43.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 23.1 tt0 -67.34 -54.79 17.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.6 mmm -86.09 -7.4 58.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.99 14.02 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 43.5 mttm -119.7 145.86 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 63' ' ' THR . . . 96.81 166.97 33.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.4 Cg_endo -68.97 123.02 9.92 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.282 3.322 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 55' ' ' HIS . 44.5 p -123.45 -8.09 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -95.04 156.37 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.88 157.85 36.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.77 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.2 tt0 -72.65 -19.95 61.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.532 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.59 -48.75 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -88.01 101.9 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.629 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -106.42 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.595 ' O1A' HD11 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.54 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.653 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -172.63 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.64 116.88 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.52 128.76 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -99.78 121.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 43.2 mt -98.85 97.56 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 135.72 25.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -147.45 134.98 20.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -6.61 36.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -119.9 29.18 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.29 124.51 5.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -60.44 156.12 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -119.9 121.35 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 107.32 18.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -107.25 122.71 40.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -86.7 93.78 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.353 3.369 . . . . 0.0 109.581 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 58.2 t-80 -79.48 49.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' CD ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -138.56 -68.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.97 -24.84 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -76.24 -1.49 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' PRO . 88.6 mt-30 -93.83 -52.92 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -67.19 -26.68 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.89 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 54.9 t -139.22 62.61 26.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' GLN . 68.8 Cg_exo -40.18 -27.34 0.23 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.345 3.363 . . . . 0.0 109.587 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.48 115.46 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.64 -16.19 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 12.5 mttp -76.84 -4.5 43.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' NZ ' HBC1 ' A' ' 154' ' ' HEM . 3.0 mmmp? -67.94 -52.04 40.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -95.76 -53.5 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.7 m-70 -70.84 109.49 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.88 -55.72 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.18 0.78 26.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.0 170.1 17.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.44 137.55 39.78 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.357 3.371 . . . . 0.0 109.556 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.22 -167.88 25.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 147.07 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -104.2 119.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 134.52 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.2 -37.07 3.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' GLY . 74.9 t80 -37.68 158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.4 -154.67 25.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.8 OUTLIER -60.4 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.7 -36.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.14 -57.54 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.02 42.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.58 -136.6 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' O ' HMC1 ' A' ' 154' ' ' HEM . . . -111.18 -52.3 0.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.426 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 78.3 m -124.7 -86.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.712 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 5.1 mtmp? -43.66 -51.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.54 -63.58 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.6 t -59.02 -50.45 74.03 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LYS . 57.0 m170 -46.15 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.52 -20.98 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tp10 -61.12 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mmm -99.46 4.91 46.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.17 2.46 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' O ' ' CA ' ' A' ' 55' ' ' HIS . 8.0 mmtt -99.5 166.66 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 63' ' ' THR . . . 76.36 156.02 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 27.5 Cg_endo -62.75 122.69 11.1 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.368 3.378 . . . . 0.0 109.571 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 61' ' ' GLY . 45.4 p -119.85 -9.99 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.06 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.28 157.7 37.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.21 3.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.8 tt0 -72.61 -18.85 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.27 -49.35 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.8 m-70 -87.17 101.54 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -113.66 116.38 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tptt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.44 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.538 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.712 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -38.43 -37.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.36 117.26 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -129.16 128.73 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -98.5 121.1 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 25.9 mt -98.27 100.79 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 138.07 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.92 141.41 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 2.75 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.432 HD21 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -134.17 32.72 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.34 123.44 5.27 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.95 157.4 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -119.22 125.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.34 109.43 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -109.97 122.85 37.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.62 96.2 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.336 3.357 . . . . 0.0 109.619 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 63.1 t-80 -80.58 48.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 34.0 tptt -139.25 -68.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.11 -24.81 19.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -76.8 -0.71 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' PRO . 87.5 mt-30 -94.04 -53.63 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -67.43 -26.42 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -28.07 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.439 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.1 t -140.52 63.43 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLN . 72.8 Cg_exo -41.33 -26.52 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.314 3.343 . . . . 0.0 109.631 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 65.3 t0 -79.13 114.13 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.31 -16.64 39.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 8.3 mttt -75.94 -5.16 44.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -53.74 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -93.98 -53.25 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.48 106.44 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.555 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.53 -49.85 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -92.53 30.3 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.59 171.29 47.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.03 140.87 69.52 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.324 3.349 . . . . 0.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.79 -164.1 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.1 148.09 44.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.99 119.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.43 135.59 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.37 -36.32 4.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.6 t80 -37.85 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.72 -155.57 27.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.0 tttt -59.97 -78.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.82 -37.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -69.69 -57.24 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.66 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.7 m170 -69.95 -34.49 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.19 -135.76 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -85.52 38.86 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.25 -50.98 0.69 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -126.35 -86.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.672 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 1.0 OUTLIER -42.83 -51.81 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.04 -64.37 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 44.6 t -59.06 -50.39 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.4 m170 -45.73 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.649 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.67 -21.49 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.0 tp10 -60.19 -52.26 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.45 4.51 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.29 7.61 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -103.95 147.82 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 63' ' ' THR . . . 91.5 164.37 39.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.0 Cg_endo -65.75 122.06 9.58 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.265 3.31 . . . . 0.0 109.636 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 61' ' ' GLY . 60.1 p -122.13 -8.64 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.51 157.52 16.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.34 158.49 34.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 108.257 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.83 -34.68 3.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -72.33 -18.86 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.04 -49.04 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.38 103.47 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -113.08 116.35 29.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.444 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.633 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.672 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -107.81 -43.18 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.99 115.71 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.3 mt -130.64 128.6 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -100.03 121.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 68.0 mt -98.75 92.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 135.21 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -145.35 141.39 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 2.86 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -130.63 28.95 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.56 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.03 120.38 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -56.44 156.13 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.41 121.08 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -86.36 106.1 17.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 35.0 t80 -106.06 123.09 40.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' PHE . 85.7 Cg_endo -86.6 94.97 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 0.0 109.637 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 63.4 t-80 -80.16 48.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.616 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -137.47 -69.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.65 -24.21 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -77.27 0.12 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.618 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.4 mt-30 -95.07 -54.19 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -67.75 -25.97 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.9 -27.98 30.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -140.73 63.33 19.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.5 Cg_exo -41.03 -27.07 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.267 3.311 . . . . 0.0 109.624 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.64 114.06 17.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.34 -16.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -75.97 -5.57 46.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -66.96 -52.09 47.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 m -95.99 -53.41 3.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 95.0 m-70 -71.13 102.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -50.33 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -91.77 31.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.68 175.96 50.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -57.41 140.62 93.67 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.364 3.376 . . . . 0.0 109.565 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.34 -170.91 23.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HA ' ' CGD' ' A' ' 130' ' ' HEM . 0.0 OUTLIER -65.78 146.69 54.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.53 118.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -84.2 134.14 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.32 -36.57 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' GLY . 52.5 t80 -38.27 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.9 -157.42 29.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -59.3 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.7 tpt -69.48 -57.41 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.59 -52.96 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.6 m170 -69.69 -34.53 74.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.37 -135.32 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -85.55 39.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.59 -52.4 0.62 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -124.92 -86.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 1.4 mtmp? -43.14 -51.41 5.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.27 -64.38 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.9 t -59.11 -50.29 74.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.7 m170 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.15 -21.07 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.9 tp10 -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mmm -101.21 4.25 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.63 7.56 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 11.3 mmtm -104.83 147.4 27.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.08 164.35 37.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.9 Cg_endo -66.51 121.89 9.22 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.332 3.355 . . . . 0.0 109.626 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' GLY . 60.4 p -121.96 -8.54 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.75 157.01 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.84 157.55 37.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 108.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.14 -34.38 3.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.1 tt0 -72.97 -18.59 61.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.532 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.07 -49.08 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.32 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -110.32 116.87 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.459 ' CGD' ' HA ' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.629 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.572 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -110.8 -39.58 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.54 118.46 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 mt -132.97 128.27 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -101.31 120.88 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 35.5 mt -97.81 97.0 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -50.23 134.66 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.22 140.55 24.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HG3' ' CGA' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -79.19 3.91 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -127.98 25.66 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.57 117.13 4.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -53.1 155.97 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.26 121.51 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.85 107.05 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -109.36 118.51 50.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -83.01 94.65 0.83 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.288 3.325 . . . . 0.0 109.613 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.29 51.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' GLN . 21.2 tttt -142.09 -67.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.84 -22.49 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -80.74 3.41 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.8 mt-30 -96.49 -53.91 3.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -66.89 -25.83 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.49 -30.0 30.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.0 t -137.77 62.17 33.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 66.4 Cg_exo -39.78 -27.64 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.358 3.372 . . . . 0.0 109.573 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.7 t70 -80.8 112.24 18.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.42 -13.45 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 10.1 mmtt -77.94 -4.14 45.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -67.99 -48.63 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -100.02 -53.51 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.2 m-70 -70.88 103.74 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -49.37 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.8 31.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.32 170.6 47.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.55 141.34 74.23 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.32 3.346 . . . . 0.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -168.9 24.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 151.14 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.3 mt -108.11 119.11 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 134.0 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.99 -36.92 3.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 40' ' ' GLY . 82.9 t80 -38.2 159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.87 -153.97 24.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.2 ttmt -60.35 -78.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.81 -36.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.67 -57.83 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.4 -52.1 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.14 -136.04 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.36 41.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' HMC1 ' A' ' 154' ' ' HEM . . . -111.92 -55.05 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 75.6 m -122.84 -85.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.592 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.7 OUTLIER -42.79 -48.24 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.48 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.485 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 13.7 t -54.39 -44.29 72.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.7 m170 -53.93 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -56.13 -22.63 29.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 27.7 tt0 -68.81 -54.93 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.1 mmm -85.21 -8.08 58.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 72.95 14.39 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -120.84 145.42 47.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 63' ' ' THR . . . 97.71 167.62 32.25 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 45.0 Cg_endo -68.45 123.4 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.32 3.347 . . . . 0.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 55' ' ' HIS . 69.2 p -123.44 -7.93 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -96.51 156.95 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.03 158.1 36.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.75 -34.91 3.59 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -72.49 -19.12 61.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.3 -49.14 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -87.16 104.29 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -116.15 116.75 28.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.411 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.485 HMC2 ' HB2' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.592 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -37.36 -45.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 116.52 4.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mt -132.35 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.91 121.01 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 33.7 mt -99.24 98.5 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 132.77 24.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -142.55 139.26 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -77.12 1.8 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -131.85 31.63 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.723 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.02 123.95 5.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.49 155.68 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.0 t -118.79 118.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 101.93 12.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 39.2 t80 -101.47 124.04 42.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 80.1 Cg_endo -86.29 93.75 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.502 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.2 t-80 -79.71 50.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.607 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -141.22 -68.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -53.64 -22.17 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -80.75 3.56 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.1 mt-30 -94.41 -54.44 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -29.98 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -29.79 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 46.6 t -138.67 61.94 26.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.6 Cg_exo -40.65 -26.62 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.299 3.333 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.6 t70 -81.28 113.36 19.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.55 -14.39 52.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -77.03 -4.32 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.0 mmtt -68.51 -50.57 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 m -97.76 -53.48 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.3 m-70 -71.64 102.88 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.31 -49.61 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -91.43 30.59 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.93 173.38 49.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -55.98 141.03 86.85 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.308 3.339 . . . . 0.0 109.596 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -171.01 23.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 150.21 48.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -107.03 119.55 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.35 -37.56 3.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 73.0 t80 -38.44 160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.93 -154.85 25.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.3 OUTLIER -59.94 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.98 -36.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.61 -57.78 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.23 -52.51 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -71.32 -33.96 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.69 -137.01 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -84.18 42.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.11 -54.99 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 76.1 m -121.97 -86.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.69 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 2.9 mtmp? -44.1 -49.8 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.98 -65.26 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.7 t -57.88 -48.0 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 58.7 m170 -48.16 -72.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.01 -21.57 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -61.08 -51.98 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mmm -100.53 3.89 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? 68.26 8.1 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -105.75 147.18 28.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 165.95 37.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.0 Cg_endo -70.03 121.89 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 0.0 109.596 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 55' ' ' HIS . 43.7 p -121.53 -8.83 9.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 157.4 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.21 158.64 36.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.67 -34.77 3.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.6 tt0 -72.71 -18.93 61.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.529 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.61 -48.86 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.89 102.67 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 116.42 31.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.408 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 1.019 HBC2 HMC1 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.69 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER 75.77 -51.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 119.37 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.509 HD13 ' O1A' ' A' ' 130' ' ' HEM . 45.5 mt -130.31 129.03 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -95.72 121.5 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 48.0 mt -99.49 96.62 7.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 136.42 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -149.03 140.09 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 3.42 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.92 28.72 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.19 117.94 4.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.82 155.69 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.88 122.66 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 108.24 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -109.62 122.43 39.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.72 97.21 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 62.7 t-80 -81.19 48.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.619 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 20.7 tttt -138.13 -68.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.23 -23.36 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -78.47 0.79 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' PRO . 65.6 mt-30 -95.41 -53.68 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -67.03 -26.62 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.34 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 57.0 t -138.56 62.14 27.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 64.1 Cg_exo -39.46 -27.97 0.18 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.326 3.351 . . . . 0.0 109.639 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.4 t70 -80.1 114.41 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 m -83.77 -14.22 52.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.3 mtmt -77.73 -4.05 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -68.32 -48.19 65.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -100.35 -54.04 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.86 110.81 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.89 -48.28 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.16 26.26 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.24 174.22 42.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.09 143.25 96.84 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.362 3.375 . . . . 0.0 109.583 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.25 -164.49 25.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 152.06 44.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.19 119.15 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.17 134.97 35.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.6 -36.79 3.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' GLY . 71.0 t80 -38.5 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 -154.69 25.69 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.6 tttt -60.16 -78.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.62 -36.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.32 -57.81 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.06 -52.55 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.78 -137.13 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 42.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' HMC1 ' A' ' 154' ' ' HEM . . . -113.34 -53.98 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.408 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 75.6 m -123.33 -85.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.681 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 4.1 mtmp? -45.04 -50.88 10.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.95 -64.18 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 45.2 t -58.97 -49.68 76.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.5 m170 -46.36 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.9 -20.96 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.6 tp10 -60.58 -52.17 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.37 4.65 41.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.34 7.63 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 mmtt -104.45 147.58 27.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.53 163.91 37.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 39.3 Cg_endo -66.32 122.65 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.327 3.351 . . . . 0.0 109.572 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 61' ' ' GLY . 59.0 p -122.48 -8.43 8.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -97.28 156.71 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 157.46 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.48 3.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.4 tt0 -72.76 -18.96 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.67 -48.8 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.287 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.64 105.13 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -116.41 116.38 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.509 ' O1A' HD13 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.627 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.681 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -96.97 -37.95 9.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 116.72 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.498 HD13 ' O2A' ' A' ' 130' ' ' HEM . 16.4 mt -129.48 127.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.75 121.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.476 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 27.0 mt -100.07 100.78 11.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' O ' ' CGD' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -54.64 135.27 46.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -143.3 145.81 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 7.09 13.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.466 HD21 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -138.23 31.86 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.625 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.61 123.04 5.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.65 157.3 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.35 123.21 71.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 104.86 17.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.0 t80 -105.92 123.65 38.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 82.4 Cg_endo -87.23 94.15 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.325 3.35 . . . . 0.0 109.571 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.6 t-80 -79.33 50.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.568 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.6 tttt -140.9 -68.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -22.17 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -79.66 1.87 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 57.5 mt-30 -96.05 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -26.35 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.95 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.5 t -137.56 62.23 34.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLN . 63.1 Cg_exo -39.49 -27.89 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.321 3.347 . . . . 0.0 109.579 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' VAL . 28.8 t70 -80.59 113.37 18.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.78 -14.15 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 3.8 mtmm -77.38 -3.94 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -49.54 61.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.21 -53.82 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.1 m-70 -70.01 108.18 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.59 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.56 -55.39 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.64 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 169.83 18.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.37 139.01 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.296 3.331 . . . . 0.0 109.579 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.79 -164.46 25.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 147.89 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -104.0 119.06 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 133.84 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 102.94 -38.44 3.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.9 t80 -34.26 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.22 -162.52 32.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -56.75 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.63 -36.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.16 -56.85 5.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.0 -52.68 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.8 m170 -70.15 -34.58 73.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.57 -132.88 0.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -86.93 38.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.77 -54.49 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.36 -86.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.604 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 3.9 mtmp? -41.6 -48.66 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -67.28 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.444 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 13.9 t -55.69 -44.16 77.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 47.7 m170 -53.86 -71.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.58 -21.56 10.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 2.8 mm-40 -62.5 -51.88 65.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmm -98.64 0.56 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -105.61 148.17 27.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 63' ' ' THR . . . 91.85 164.77 38.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 39.3 Cg_endo -66.41 123.37 11.05 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.272 3.315 . . . . 0.0 109.627 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' GLY . 64.3 p -122.93 -8.46 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -97.21 156.51 16.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.4 157.99 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 108.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.7 -34.56 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.9 tt0 -72.4 -18.07 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.53 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -113.8 -49.69 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.568 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -86.84 100.47 12.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 116.2 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.498 ' O2A' HD13 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.492 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.604 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -38.84 -36.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.89 118.26 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -132.01 128.59 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.9 t -100.32 121.05 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 51.3 mt -97.76 94.7 7.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 137.78 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -150.22 136.24 18.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 7.1 pttt -72.15 -4.37 28.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -121.71 28.02 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.684 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.02 124.33 5.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.82 156.61 16.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -120.99 119.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -83.89 108.75 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -110.2 118.28 49.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -83.11 96.33 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.325 3.35 . . . . 0.0 109.589 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 62.3 t-80 -79.27 49.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -140.32 -66.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.42 -24.03 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.16 2.4 24.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' LYS . 83.5 mt-30 -96.59 -53.79 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -67.9 -24.62 65.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.87 -30.33 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.9 t -138.28 63.87 37.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 74.1 Cg_exo -41.72 -26.19 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.287 3.324 . . . . 0.0 109.609 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.1 t0 -78.58 112.15 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.97 -17.19 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.5 mttp -75.43 -6.14 48.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.92 -53.3 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.2 -52.6 4.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 108.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.4 m-70 -72.94 100.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 -50.43 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -91.71 31.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.07 172.2 48.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -52.39 141.62 50.21 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.34 . . . . 0.0 109.555 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.07 -178.59 19.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' HA ' ' CGD' ' A' ' 130' ' ' HEM . 0.1 OUTLIER -59.76 148.17 35.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.15 118.6 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -85.06 129.1 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.21 -40.44 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 68.0 t80 -33.83 150.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.62 -160.52 29.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 4.1 tttt -57.76 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.35 -37.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' CA ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -70.16 -57.39 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.8 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.6 m170 -71.24 -34.25 70.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.45 -133.28 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.06 38.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.461 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.58 -53.23 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 78.0 m -125.59 -85.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.527 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.7 OUTLIER -42.5 -49.28 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.42 -66.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.519 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 9.0 t -55.89 -45.13 78.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 45.8 m170 -53.23 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.18 -21.97 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.9 mm-40 -64.53 -52.88 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 mmm -95.1 -3.28 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 72.43 9.96 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.4 mmpt? -109.3 147.28 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.05 165.26 38.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.3 Cg_endo -65.61 121.76 9.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.317 3.345 . . . . 0.0 109.621 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 61' ' ' GLY . 69.0 p -121.1 -9.28 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -97.48 157.0 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 159.2 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.6 -34.78 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -72.62 -20.25 61.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.529 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -111.48 -48.38 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.32 101.16 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.98 116.04 29.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.462 ' CGD' ' HHA' ' A' ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.519 HMC2 ' HB2' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.563 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.58 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.84 115.77 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mt -128.7 128.13 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.54 120.41 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -97.25 95.97 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 135.08 25.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.95 137.64 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -74.19 -1.98 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -124.32 28.19 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.67 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.74 123.75 5.29 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.78 156.25 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.34 117.77 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' H ' ' NZ ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -85.21 106.89 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.8 t80 -106.38 123.51 38.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 98.6 Cg_endo -86.28 95.66 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.256 3.304 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.7 t-80 -80.53 47.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -139.04 -67.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.28 -23.59 15.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.03 1.43 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' PRO . 70.7 mt-30 -95.19 -53.89 3.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -66.7 -26.5 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.6 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.445 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.8 t -138.05 62.43 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 67.7 Cg_exo -40.15 -27.24 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 23.7 t70 -80.44 113.6 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.06 -13.41 53.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 34.2 mttt -78.63 -3.16 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.1 mmtm -69.28 -49.78 52.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -97.97 -53.58 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.3 108.24 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -88.1 -48.91 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -92.43 28.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.3 169.8 44.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.05 139.6 80.02 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.313 3.342 . . . . 0.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.28 -174.34 23.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 148.06 48.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.3 mt -104.81 118.73 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.66 131.28 34.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 106.17 -39.56 2.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 55.6 t80 -33.54 150.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.17 -159.91 27.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.9 tttt -57.91 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.86 -36.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.62 -56.91 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.1 -51.84 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.3 m170 -71.12 -34.06 70.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.08 -133.47 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.0 38.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -108.46 -55.19 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.9 m -123.97 -85.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.777 ' HD3' HMC3 ' A' ' 168' ' ' HEM . 0.5 OUTLIER -42.05 -48.46 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.25 -69.6 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.448 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 15.9 t -53.8 -44.68 70.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.53 ' HB3' HG22 ' A' ' 63' ' ' THR . 42.6 m170 -53.63 -71.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -55.93 -23.36 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.4 tt0 -67.89 -54.22 20.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 mmm -87.17 -3.99 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 15.26 9.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 5.8 mmtp -119.76 145.84 46.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 63' ' ' THR . . . 96.06 166.69 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.6 Cg_endo -68.39 123.09 10.16 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.36 3.374 . . . . 0.0 109.588 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 55' ' ' HIS . 69.8 p -122.65 -9.62 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 157.25 16.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 158.59 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -35.18 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -72.83 -20.7 61.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -110.65 -47.76 3.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.565 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -89.23 98.42 11.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' NZ ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -117.43 118.11 31.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.434 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.509 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.777 HMC3 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.474 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER 70.92 -54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.21 121.25 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.3 mt -132.32 129.37 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.67 121.1 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -97.92 99.95 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.499 ' O ' ' CGD' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -51.71 132.51 31.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -141.9 142.39 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.6 6.84 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.447 ' ND2' ' C4A' ' A' ' 168' ' ' HEM . 8.9 p-10 -138.04 32.59 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.654 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.29 122.15 5.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.71 156.68 16.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -119.95 124.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.0 111.38 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -112.6 118.23 45.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.29 96.14 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.283 3.322 . . . . 0.0 109.65 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 62.9 t-80 -79.14 48.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.607 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLN . 10.3 tptt -138.08 -68.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.16 13.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -79.49 2.04 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.4 mt-30 -96.34 -54.14 3.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.47 29.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 60.1 t -140.5 63.79 22.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 70.5 Cg_exo -41.3 -26.51 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.252 3.301 . . . . 0.0 109.605 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.9 t0 -78.82 114.45 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.18 -16.8 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 11.0 mttt -76.18 -5.35 46.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -52.81 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.76 -53.29 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.2 m-70 -71.67 105.24 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -49.71 7.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -91.97 27.3 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.52 172.46 46.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -52.11 141.97 46.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.369 3.38 . . . . 0.0 109.576 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.9 -176.9 19.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -60.39 151.2 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.68 119.2 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.42 133.76 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.11 -37.68 3.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' GLY . 83.9 t80 -38.62 160.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.38 -154.51 25.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.3 tttt -60.1 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.46 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.74 -57.98 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.96 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.71 -34.37 69.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.575 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.03 -138.24 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -83.71 43.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.0 -56.47 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 76.6 m -121.0 -84.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.691 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 2.5 mtmp? -45.11 -48.73 12.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -66.67 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.6 t -56.18 -44.79 79.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.531 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.0 m170 -52.39 -72.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.99 -21.67 12.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 3.3 mm-40 -63.14 -52.38 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mmm -96.58 0.22 49.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.3 8.37 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -107.91 147.82 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.13 165.04 38.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 44.2 Cg_endo -67.5 122.06 9.23 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.297 3.332 . . . . 0.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 55' ' ' HIS . 44.5 p -122.02 -8.43 8.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -96.15 156.85 16.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.17 157.89 36.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.15 -34.78 3.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.6 tt0 -72.95 -19.62 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.78 -48.67 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.565 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.14 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -115.17 116.81 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mttm . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.437 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 1.005 HBC2 HMC1 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.691 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -56.7 -33.66 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.2 116.65 13.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.07 127.46 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.38 120.26 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' CB ' ' O2D' ' A' ' 168' ' ' HEM . 21.7 mt -97.85 110.62 23.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 135.85 57.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.954 ' HB2' ' CGD' ' A' ' 168' ' ' HEM . . . -146.58 139.72 25.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -75.24 -0.99 21.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -125.94 29.3 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.662 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.35 125.41 5.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.38 157.37 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG23 ' O1D' ' A' ' 168' ' ' HEM . 58.2 t -120.65 125.91 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 109.6 20.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -111.46 119.01 46.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.85 95.49 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.326 3.351 . . . . 0.0 109.592 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.12 48.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.5 ttpp -139.59 -66.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.15 -23.82 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -79.59 2.38 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LYS . 85.3 mt-30 -95.97 -53.67 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.55 -26.18 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.67 -29.07 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 t -139.52 65.13 32.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 79.0 Cg_exo -43.3 -25.07 0.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.316 3.344 . . . . 0.0 109.578 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.0 t0 -80.14 112.25 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.38 -16.17 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.9 mtmm -76.17 -5.77 48.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.292 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 93.6 m-70 -73.2 101.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.631 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.55 -50.2 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -91.89 31.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.44 172.9 49.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -53.53 142.16 60.44 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.301 3.334 . . . . 0.0 109.58 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.89 -172.83 22.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 152.01 44.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.6 mt -108.45 118.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -81.76 133.33 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.02 -37.81 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 67.4 t80 -39.5 162.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -152.56 23.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 5.1 tttt -60.98 -78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.97 -35.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' LYS . 2.0 tpt -70.98 -58.21 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.54 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m170 -72.16 -34.5 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.37 -137.46 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -84.06 44.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.6 -57.25 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -120.87 -83.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.726 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 2.2 mtmt -45.24 -47.25 12.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.72 -69.4 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.7 t -53.66 -43.24 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.555 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.3 m170 -54.11 -70.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -59.05 -21.22 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 17.4 tt0 -66.54 -53.71 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmm -89.04 -5.59 57.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.07 12.31 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 23.3 mmtt -117.7 145.96 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.02 167.14 31.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 67.5 Cg_endo -71.54 122.74 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.297 3.331 . . . . 0.0 109.556 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 55' ' ' HIS . 39.0 p -122.43 -8.94 8.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 156.88 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.29 159.15 35.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.37 -34.78 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.9 tt0 -72.73 -19.09 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.524 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -112.44 -49.1 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.557 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.2 m-70 -87.3 101.3 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.571 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -119.59 115.82 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.449 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 1.0 HBC2 HMC1 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.954 ' CGD' ' HB2' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -36.98 -50.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 119.62 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.11 129.1 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.2 t -101.77 121.17 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.51 91.73 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 138.91 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.64 139.54 25.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -2.62 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.463 ' ND2' ' C4A' ' A' ' 168' ' ' HEM . 14.9 p-10 -130.18 34.78 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.907 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.5 128.58 6.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.2 156.94 32.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.6 119.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -83.64 109.73 17.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 58.0 t80 -111.5 117.07 49.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -82.97 93.11 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.27 3.313 . . . . 0.0 109.629 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -77.02 52.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -140.33 -69.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.4 -21.55 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -81.51 4.71 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 34.7 mt-30 -96.14 -55.09 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.86 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.05 53.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.478 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -137.54 61.01 28.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.9 Cg_exo -38.81 -27.62 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.296 0 C-N-CA 124.343 3.362 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -77.77 113.99 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.45 -18.29 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.3 OUTLIER -74.68 -5.51 43.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -53.33 29.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -94.82 -53.09 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.1 m-70 -71.66 104.53 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.608 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -49.36 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.55 31.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.73 174.14 49.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.96 141.86 96.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.33 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.51 -170.18 23.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 151.65 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.0 mt -108.34 119.24 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.36 132.16 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 105.14 -38.38 3.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 34.5 t80 -38.17 159.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 163.77 -151.15 20.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -62.4 -78.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.8 -36.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -71.18 -57.48 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.7 -51.67 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.6 m170 -72.16 -34.14 68.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.9 -136.12 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.73 40.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.22 -56.14 0.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -121.73 -86.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.705 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 11.0 mtmt -42.67 -48.49 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.4 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.7 t -55.22 -45.08 75.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB3' HG22 ' A' ' 63' ' ' THR . 45.5 m170 -52.33 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -54.18 -22.63 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 5.8 mm-40 -65.66 -54.19 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmm -90.65 -3.94 57.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.37 11.89 6.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.2 mtpm? -113.71 146.6 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 63' ' ' THR . . . 94.34 165.73 36.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 57.6 Cg_endo -68.98 121.96 8.83 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.38 3.387 . . . . 0.0 109.613 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.583 HG22 ' HB3' ' A' ' 55' ' ' HIS . 41.4 p -121.62 -9.64 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 156.97 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.1 158.23 36.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.43 3.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -73.94 -21.33 60.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -109.86 -46.97 3.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 108.361 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.572 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -90.57 98.46 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -114.93 122.94 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.415 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 1.009 HBC2 HMC1 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.705 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -155.47 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 116.89 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.2 128.69 64.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.21 119.82 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 mt -97.46 98.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 133.12 28.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -142.81 141.39 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 1.8 pttt -78.97 4.21 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -134.07 30.67 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.69 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.65 124.24 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.93 156.35 17.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -119.45 119.71 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 105.6 16.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.443 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 51.7 t80 -107.1 118.99 52.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.15 94.93 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.315 3.343 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.67 50.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.619 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.8 tptt -139.79 -68.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.44 -22.46 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -81.28 5.08 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -95.93 -54.65 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -28.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -31.65 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 47.6 t -137.21 60.97 30.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.6 Cg_exo -38.84 -27.69 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.36 . . . . 0.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' VAL . 49.4 t0 -80.09 116.93 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.42 -17.69 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mtpt -74.33 -4.15 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -68.13 -54.33 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 m -95.07 -53.55 3.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.84 114.2 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.643 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -47.94 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -91.33 30.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 92.85 172.09 40.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -66.16 134.06 35.26 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.35 . . . . 0.0 109.605 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.13 -161.08 28.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 150.72 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.25 119.35 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.07 132.22 34.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.23 -39.16 2.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' GLY . 71.4 t80 -33.37 149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -160.05 27.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.2 tttt -57.9 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.05 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.71 -52.92 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.0 -33.71 72.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.15 -132.42 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -88.11 36.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.0 -52.6 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.74 -85.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HD3' HMC3 ' A' ' 168' ' ' HEM . 2.8 mtmt -40.93 -50.37 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.15 -70.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 49.6 t -54.34 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -50.09 -70.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -57.1 -23.93 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 11.5 tt0 -69.09 -57.06 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.0 mmm -80.48 -10.21 59.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 16.61 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.8 mttt -124.3 144.39 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 63' ' ' THR . . . 99.79 166.72 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 42.9 Cg_endo -67.6 122.91 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.325 3.35 . . . . 0.0 109.59 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 55' ' ' HIS . 82.2 p -122.93 -8.06 8.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.89 156.64 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 157.4 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.46 -34.39 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.3 tt0 -72.62 -20.71 61.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -110.75 -48.64 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 108.319 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.563 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.86 100.83 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.82 116.19 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.418 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.617 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.573 HMC3 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -168.47 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.29 116.69 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.58 129.1 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.23 121.7 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.32 100.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -51.74 136.71 27.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -148.74 139.54 22.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 0.1 OUTLIER -77.15 1.16 19.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 10' ' ' ASN . 2.4 t30 -125.5 23.98 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 105.97 118.81 4.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -51.76 155.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.64 123.24 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.1 102.99 15.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 50.8 t80 -102.75 122.89 44.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -87.08 92.96 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 0.0 109.565 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.3 t-80 -79.06 50.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -140.17 -67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.61 -23.02 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.0 1.42 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 75.7 mt-30 -95.23 -53.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -26.52 66.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.38 -29.07 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 51.2 t -138.79 62.92 30.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 69.7 Cg_exo -40.5 -27.06 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.282 3.321 . . . . 0.0 109.651 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' VAL . 25.0 t0 -81.17 114.62 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -84.08 -14.31 50.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.5 mtmp? -77.09 -3.76 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -50.17 54.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -98.59 -53.69 3.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.6 m-70 -70.1 110.19 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.7 -48.6 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -92.53 28.65 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.61 176.84 45.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.16 139.87 86.13 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.337 3.358 . . . . 0.0 109.6 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.59 -173.4 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 147.28 45.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.4 mt -104.19 119.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.87 133.84 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.91 -37.05 3.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.5 t80 -38.42 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.14 -155.35 26.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -60.27 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.25 -36.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.35 -57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -52.68 47.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.8 -33.66 70.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.25 -134.48 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 39.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.99 -54.33 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.408 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 76.6 m -122.95 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.601 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 5.4 mtmt -42.18 -48.4 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.28 -67.57 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.463 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 13.1 t -55.48 -43.83 75.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 46.4 m170 -54.18 -72.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.34 -21.85 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 3.9 mm-40 -64.06 -52.06 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmm -96.17 -1.69 47.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 9.4 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -109.35 147.45 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.4 165.41 37.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.7 Cg_endo -66.31 123.43 11.17 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.266 3.311 . . . . 0.0 109.594 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 61' ' ' GLY . 71.4 p -122.42 -8.67 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.65 157.85 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 158.44 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.45 -35.65 3.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.7 tt0 -71.83 -19.73 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.515 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.78 -49.61 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.548 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -86.49 106.5 17.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -106.75 115.3 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.413 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.473 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.601 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.33 117.76 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.416 HD13 ' O2A' ' A' ' 130' ' ' HEM . 8.9 mt -130.61 128.55 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -97.48 119.63 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 mt -95.75 113.94 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 132.28 48.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -148.16 135.39 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 1.0 OUTLIER -70.32 -6.32 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.63 25.43 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.01 125.53 5.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.89 156.94 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.24 130.23 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 3.3 tmtt? -92.13 113.64 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -115.28 122.56 32.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -86.84 92.73 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.354 3.369 . . . . 0.0 109.582 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.4 t-80 -77.61 51.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -141.78 -68.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.92 -24.91 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -76.02 -1.63 26.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.3 mt-30 -93.66 -52.28 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -66.95 -26.97 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.67 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -139.33 62.73 26.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.1 Cg_exo -40.6 -27.14 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.274 3.316 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 25.0 t70 -79.58 114.12 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.82 -15.21 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.5 mtmt -77.04 -3.81 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -68.14 -52.0 39.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 m -96.68 -54.0 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 108.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.6 m-70 -69.74 114.68 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.659 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.46 -48.05 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -91.56 30.01 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 94.44 172.02 38.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.61 138.37 45.34 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.278 3.318 . . . . 0.0 109.613 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.35 -161.98 27.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 152.54 45.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.09 118.76 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.78 128.58 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.49 -41.16 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CE2' ' O2D' ' A' ' 168' ' ' HEM . 82.0 t80 -33.11 149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.65 -162.94 32.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 2.8 tttt -52.18 -77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.66 -38.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -54.42 10.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.17 37.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.477 ' HE1' ' C4A' ' A' ' 168' ' ' HEM . 26.7 m170 -72.51 -35.48 68.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -69.32 -137.15 0.09 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.03 39.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.49 -52.05 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.42 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 79.3 m -125.26 -87.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.682 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.2 OUTLIER -42.52 -51.73 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.64 -63.91 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.5 t -59.02 -50.27 74.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 50.0 m170 -46.32 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.78 -20.67 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.2 tp10 -60.54 -52.72 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -100.48 2.85 42.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.08 4.71 5.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 7.8 mttt -101.33 155.37 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 63' ' ' THR . . . 86.89 162.44 37.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.413 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 50.1 Cg_endo -67.33 122.3 9.54 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.275 3.316 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.468 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 59.7 p -121.05 -9.62 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 157.0 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.49 158.43 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.96 -34.48 3.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.4 tt0 -73.29 -19.99 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.519 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -111.49 -48.32 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -88.03 110.8 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -129.96 116.87 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.495 ' HHA' ' CGA' ' A' ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.547 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.682 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -41.11 -30.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -76.16 116.47 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mt -128.18 128.45 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.27 120.19 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 27.9 mt -96.65 98.59 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 134.9 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -147.44 139.14 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 1.13 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -126.68 27.29 6.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.54 122.19 5.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.41 157.21 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -121.54 119.94 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -85.95 108.96 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 55.3 t80 -110.0 122.52 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -86.32 95.89 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.264 3.309 . . . . 0.0 109.595 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.97 47.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.7 tttm -138.21 -67.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -22.8 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -80.9 3.94 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' PRO . 80.7 mt-30 -95.43 -54.73 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -29.18 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.228 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.8 -30.4 51.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.4 t -138.26 61.49 26.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.1 Cg_exo -39.78 -27.18 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.317 3.344 . . . . 0.0 109.631 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 60.7 t0 -79.36 113.24 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.24 -14.98 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 108.286 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.2 mttt -77.65 -4.1 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -68.93 -50.9 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.54 -53.32 3.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.258 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.3 m-70 -72.12 105.66 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.48 -49.51 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.14 30.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.63 169.15 45.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -52.67 141.2 54.27 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.323 3.349 . . . . 0.0 109.61 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 -179.66 18.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.64 19.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -107.95 118.59 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.3 132.11 35.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.41 -39.54 2.81 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 75.9 t80 -33.69 150.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.29 -159.27 26.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -58.29 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.1 -36.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.38 -56.66 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.24 -52.15 54.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.81 -34.21 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.23 -133.52 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.5 37.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -107.2 -53.36 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.5 m -126.03 -85.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.3 OUTLIER -41.72 -49.6 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.15 -69.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.6 t -54.13 -45.69 72.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 41.4 m170 -51.94 -70.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.74 -22.98 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.1 tt0 -68.1 -55.19 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.4 mmm -84.56 -8.66 58.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.29 15.28 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.6 mmpt? -121.42 145.15 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 63' ' ' THR . . . 97.9 165.74 31.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 43.3 Cg_endo -67.05 122.94 10.33 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.302 3.335 . . . . 0.0 109.611 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 55' ' ' HIS . 58.6 p -123.0 -8.33 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.411 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 155.7 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.43 157.74 36.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.29 -34.61 3.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.5 tt0 -72.74 -20.72 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -110.68 -48.37 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.22 101.03 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -101.64 114.99 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.431 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.62 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.563 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -35.9 -37.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -67.66 119.42 12.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -133.66 128.64 54.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -101.42 124.58 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.27 100.6 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 141.14 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.66 143.67 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 12.4 pttt -81.08 5.77 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -133.47 29.07 3.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.83 115.73 4.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -52.71 155.89 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.13 128.71 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 108.92 20.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.909 ' CD2' HBB2 ' A' ' 154' ' ' HEM . 13.2 t80 -108.73 120.62 45.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -84.75 96.68 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.358 3.372 . . . . 0.0 109.625 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 66.1 t-80 -80.63 49.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.586 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -140.47 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.34 -23.99 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.77 0.89 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.3 mt-30 -95.65 -54.82 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -24.73 66.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.24 -28.8 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.0 t -139.16 62.37 25.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 68.3 Cg_exo -40.12 -27.45 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.333 3.355 . . . . 0.0 109.607 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.8 t70 -79.79 111.22 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -81.57 -13.33 58.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 8.2 mttt -78.1 -4.16 45.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -68.31 -49.81 57.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 m -98.33 -52.98 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 93.6 m-70 -72.53 100.07 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.652 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -49.92 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -91.35 31.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 169.35 45.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -51.06 142.86 33.48 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.271 3.314 . . . . 0.0 109.607 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.5 -165.04 25.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 152.35 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.727 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.36 119.25 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.8 135.75 34.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.0 -36.25 4.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 69.5 t80 -38.47 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.82 -156.07 27.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.2 tttt -60.29 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.68 -36.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.8 tpt -69.89 -57.19 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.07 -52.62 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.9 m170 -70.17 -34.02 72.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.97 -134.28 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -86.98 39.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.24 -52.79 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.3 m -124.76 -86.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 3.3 mtmp? -41.46 -49.18 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -69.38 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 25.3 t -54.07 -43.66 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.52 ' HB3' HG22 ' A' ' 63' ' ' THR . 43.8 m170 -54.26 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 14.1 tt0 -66.63 -52.73 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mmm -91.44 -1.08 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 12.67 8.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.5 mmtt -116.24 146.72 42.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 63' ' ' THR . . . 95.45 166.78 35.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 47.0 Cg_endo -68.37 123.79 10.94 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 55' ' ' HIS . 71.6 p -123.8 -7.12 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.56 156.29 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.91 157.97 36.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 108.276 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -34.57 3.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.7 tt0 -72.62 -19.17 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.518 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.59 -48.69 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.255 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -87.78 102.63 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -109.56 116.55 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HEM . . . . . 0.434 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' HEM . . . . . 0.909 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' HEM . . . . . 0.568 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.11 118.34 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.92 128.83 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.49 121.43 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.7 mt -97.64 99.94 11.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 137.31 30.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -150.15 140.32 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 4.01 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -129.65 27.5 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.26 118.48 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.38 156.32 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 125.9 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 110.01 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -111.31 122.24 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.51 95.96 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.255 3.303 . . . . 0.0 109.547 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.0 t-80 -80.2 50.52 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 4.7 tttt -140.35 -68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.45 -24.4 20.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -77.46 -0.17 24.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.4 mt-30 -94.39 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -67.26 -26.66 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.69 -27.79 31.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -140.61 63.24 20.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.5 Cg_exo -41.04 -26.66 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.292 3.328 . . . . 0.0 109.601 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.64 115.53 18.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.58 -17.16 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 21.4 mttt -75.73 -5.24 44.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -53.38 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -94.55 -53.17 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.6 m-70 -71.31 105.25 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.88 -49.56 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -91.89 31.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.02 169.94 46.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.04 141.31 79.5 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 0.0 109.598 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.7 -165.89 25.74 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 151.48 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -107.71 119.11 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.25 132.41 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 104.72 -39.18 2.93 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 52.2 t80 -33.61 150.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.47 -160.39 27.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.1 tttt -57.95 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.93 -37.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -69.31 -56.5 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -53.1 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.9 m170 -69.49 -34.56 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.29 -133.18 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -86.83 37.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.71 -50.33 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -128.3 -86.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.6 mtmp? -42.19 -52.3 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -28.63 -64.84 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 47.5 t -58.74 -50.56 73.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.5 m170 -45.76 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.98 -21.06 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -60.31 -52.3 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -101.3 2.45 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.25 5.7 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.6 mmtt -102.39 148.07 25.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.44 162.88 37.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.427 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 36.4 Cg_endo -65.55 121.99 9.54 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.324 3.35 . . . . 0.0 109.595 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 61' ' ' GLY . 81.6 p -121.54 -8.83 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 157.0 16.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.98 157.69 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.346 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -34.44 3.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.427 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.8 tt0 -72.95 -18.56 61.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.11 -49.1 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.32 104.61 16.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.608 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 116.03 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.72 117.32 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 mt -130.49 128.75 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -98.31 121.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.8 mt -99.06 98.27 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 134.35 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -144.75 135.06 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -5.78 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.36 31.6 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.813 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.77 126.0 5.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -61.9 156.41 20.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.12 123.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.64 20.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -110.54 122.74 37.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.6 93.4 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.2 t-80 -78.46 51.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.584 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.3 tttp -141.32 -68.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.04 -25.58 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -76.1 -1.33 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.598 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.0 mt-30 -93.67 -52.01 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -67.88 -26.89 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.12 -28.36 29.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.45 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.6 t -139.38 62.45 24.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.3 Cg_exo -40.5 -27.24 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.325 3.35 . . . . 0.0 109.597 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -78.53 113.6 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.76 -15.65 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.6 mtmp? -76.87 -5.17 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -51.84 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -95.77 -53.1 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 108.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.87 103.01 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -83.53 -49.96 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -91.45 31.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.63 170.94 47.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -54.62 140.89 75.91 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.336 3.358 . . . . 0.0 109.56 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.2 -164.47 26.52 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -72.05 150.82 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.63 118.93 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -84.36 133.79 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.27 -36.93 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 70.6 t80 -38.12 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.42 -153.41 23.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.7 tttt -60.95 -78.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.87 -36.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.3 -57.54 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.12 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.1 m170 -70.92 -34.15 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.56 -134.96 0.35 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -86.28 39.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.03 -54.58 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.1 m -123.47 -85.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' CD ' ' HA ' ' A' ' 63' ' ' THR . 9.5 mtmm -42.49 -49.07 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.79 -67.49 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 11.3 t -55.29 -44.91 76.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.484 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.3 m170 -53.49 -71.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -55.4 -21.79 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 3.7 mm-40 -63.07 -52.8 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mmm -96.62 2.11 51.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 72.17 5.49 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -103.47 165.31 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' THR . . . 76.3 159.46 9.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 34.9 Cg_endo -64.16 122.5 10.5 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.297 3.331 . . . . 0.0 109.627 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 61' ' ' GLY . 43.8 p -120.51 -9.54 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.05 156.12 16.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.39 157.85 37.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.44 3.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -73.2 -19.35 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.28 -48.6 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.13 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -115.9 115.65 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.46 115.53 7.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.8 mt -128.9 128.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.94 121.03 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -98.19 95.8 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 135.57 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.25 141.23 27.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -78.93 3.69 16.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -132.14 29.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.0 121.95 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -58.71 156.53 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.71 122.0 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.01 109.17 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -109.88 122.94 37.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.55 93.7 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.285 3.324 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.0 t-80 -78.9 50.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 12.2 tttt -140.51 -68.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.01 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.67 0.04 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' PRO . 68.9 mt-30 -94.21 -53.15 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -67.41 -27.17 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.1 -28.54 32.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.6 t -139.44 62.59 24.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.0 Cg_exo -40.35 -27.11 0.24 Allowed 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.317 3.344 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.99 118.05 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.32 -18.31 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.252 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.8 mmmt -74.53 -4.87 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.47 -54.74 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -93.67 -53.02 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.0 m-70 -70.79 113.14 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.566 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -47.81 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -92.15 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.12 173.83 39.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.89 141.01 95.77 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.324 3.349 . . . . 0.0 109.669 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.29 -164.77 25.87 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 147.66 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.5 mt -103.26 119.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.52 131.18 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.91 -39.32 2.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.1 t80 -33.67 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.04 -160.5 28.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -57.94 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.99 -36.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.5 -56.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.31 -52.25 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.0 m170 -70.93 -34.26 71.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.0 -134.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.08 38.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.405 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.38 -55.12 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.5 m -123.57 -85.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.494 ' CD ' ' HA ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -41.77 -48.65 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.21 -69.61 0.15 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 22.7 t -53.68 -44.76 69.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.579 ' HB3' HG22 ' A' ' 63' ' ' THR . 45.6 m170 -53.09 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.04 -22.99 43.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 23.1 tt0 -67.34 -54.79 17.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.6 mmm -86.09 -7.4 58.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.99 14.02 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 43.5 mttm -119.7 145.86 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 63' ' ' THR . . . 96.81 166.97 33.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.4 Cg_endo -68.97 123.02 9.92 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.282 3.322 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 55' ' ' HIS . 44.5 p -123.45 -8.09 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -95.04 156.37 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.88 157.85 36.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.77 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.2 tt0 -72.65 -19.95 61.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.59 -48.75 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -88.01 101.9 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.629 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -106.42 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.64 116.88 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.52 128.76 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -99.78 121.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.2 mt -98.85 97.56 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 135.72 25.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -147.45 134.98 20.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -6.61 36.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -119.9 29.18 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.29 124.51 5.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -60.44 156.12 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -119.9 121.35 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 107.32 18.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -107.25 122.71 40.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -86.7 93.78 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.353 3.369 . . . . 0.0 109.581 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 58.2 t-80 -79.48 49.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' CD ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -138.56 -68.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.97 -24.84 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -76.24 -1.49 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' PRO . 88.6 mt-30 -93.83 -52.92 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -67.19 -26.68 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.89 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 54.9 t -139.22 62.61 26.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' GLN . 68.8 Cg_exo -40.18 -27.34 0.23 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.345 3.363 . . . . 0.0 109.587 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.48 115.46 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.64 -16.19 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 12.5 mttp -76.84 -4.5 43.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -67.94 -52.04 40.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -95.76 -53.5 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.7 m-70 -70.84 109.49 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.88 -55.72 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.18 0.78 26.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.0 170.1 17.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.44 137.55 39.78 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.357 3.371 . . . . 0.0 109.556 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.22 -167.88 25.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 147.07 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -104.2 119.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 134.52 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.2 -37.07 3.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' GLY . 74.9 t80 -37.68 158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.4 -154.67 25.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.8 OUTLIER -60.4 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.7 -36.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.14 -57.54 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.02 42.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.58 -136.6 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.18 -52.3 0.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.3 m -124.7 -86.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 53' ' ' GLY . 5.1 mtmp? -43.66 -51.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.54 -63.58 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.6 t -59.02 -50.45 74.03 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LYS . 57.0 m170 -46.15 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.52 -20.98 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tp10 -61.12 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mmm -99.46 4.91 46.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.17 2.46 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' O ' ' CA ' ' A' ' 55' ' ' HIS . 8.0 mmtt -99.5 166.66 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 63' ' ' THR . . . 76.36 156.02 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 27.5 Cg_endo -62.75 122.69 11.1 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.368 3.378 . . . . 0.0 109.571 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 61' ' ' GLY . 45.4 p -119.85 -9.99 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.06 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.28 157.7 37.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.21 3.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.8 tt0 -72.61 -18.85 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.27 -49.35 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -87.17 101.54 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -113.66 116.38 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tptt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.36 117.26 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -129.16 128.73 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -98.5 121.1 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 25.9 mt -98.27 100.79 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 138.07 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.92 141.41 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 2.75 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.432 HD21 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -134.17 32.72 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.34 123.44 5.27 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.95 157.4 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -119.22 125.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.34 109.43 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -109.97 122.85 37.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.62 96.2 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.336 3.357 . . . . 0.0 109.619 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 63.1 t-80 -80.58 48.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 34.0 tptt -139.25 -68.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.11 -24.81 19.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -76.8 -0.71 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' PRO . 87.5 mt-30 -94.04 -53.63 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -67.43 -26.42 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -28.07 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.439 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.1 t -140.52 63.43 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLN . 72.8 Cg_exo -41.33 -26.52 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.314 3.343 . . . . 0.0 109.631 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 65.3 t0 -79.13 114.13 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.31 -16.64 39.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 8.3 mttt -75.94 -5.16 44.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -53.74 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -93.98 -53.25 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.48 106.44 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.555 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.53 -49.85 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -92.53 30.3 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.59 171.29 47.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.03 140.87 69.52 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.324 3.349 . . . . 0.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.79 -164.1 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.1 148.09 44.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.99 119.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.43 135.59 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.37 -36.32 4.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.6 t80 -37.85 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.72 -155.57 27.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.0 tttt -59.97 -78.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.82 -37.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -69.69 -57.24 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.66 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.7 m170 -69.95 -34.49 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.19 -135.76 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -85.52 38.86 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.25 -50.98 0.69 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -126.35 -86.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.501 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.0 OUTLIER -42.83 -51.81 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.04 -64.37 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 44.6 t -59.06 -50.39 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.4 m170 -45.73 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.649 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.67 -21.49 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.0 tp10 -60.19 -52.26 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.45 4.51 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.29 7.61 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -103.95 147.82 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 63' ' ' THR . . . 91.5 164.37 39.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.0 Cg_endo -65.75 122.06 9.58 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.265 3.31 . . . . 0.0 109.636 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 61' ' ' GLY . 60.1 p -122.13 -8.64 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.51 157.52 16.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.34 158.49 34.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 108.257 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.83 -34.68 3.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -72.33 -18.86 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.04 -49.04 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.281 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.432 ' CD2' HD21 ' A' ' 10' ' ' ASN . 96.9 m-70 -87.38 103.47 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -113.08 116.35 29.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.99 115.71 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.3 mt -130.64 128.6 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -100.03 121.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.0 mt -98.75 92.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 135.21 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -145.35 141.39 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 2.86 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -130.63 28.95 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.56 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.03 120.38 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -56.44 156.13 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.41 121.08 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -86.36 106.1 17.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 35.0 t80 -106.06 123.09 40.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' PHE . 85.7 Cg_endo -86.6 94.97 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 0.0 109.637 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.467 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 63.4 t-80 -80.16 48.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.616 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -137.47 -69.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.65 -24.21 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -77.27 0.12 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.618 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.4 mt-30 -95.07 -54.19 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -67.75 -25.97 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.9 -27.98 30.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -140.73 63.33 19.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.5 Cg_exo -41.03 -27.07 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.267 3.311 . . . . 0.0 109.624 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.64 114.06 17.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.34 -16.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -75.97 -5.57 46.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -66.96 -52.09 47.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 m -95.99 -53.41 3.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.0 m-70 -71.13 102.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -50.33 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -91.77 31.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.68 175.96 50.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -57.41 140.62 93.67 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.364 3.376 . . . . 0.0 109.565 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.34 -170.91 23.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.78 146.69 54.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.53 118.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -84.2 134.14 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.32 -36.57 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' GLY . 52.5 t80 -38.27 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.9 -157.42 29.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -59.3 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.7 tpt -69.48 -57.41 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.59 -52.96 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.6 m170 -69.69 -34.53 74.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.37 -135.32 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -85.55 39.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.59 -52.4 0.62 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -124.92 -86.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 53' ' ' GLY . 1.4 mtmp? -43.14 -51.41 5.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.27 -64.38 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.9 t -59.11 -50.29 74.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.7 m170 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.15 -21.07 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.9 tp10 -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mmm -101.21 4.25 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.63 7.56 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 11.3 mmtm -104.83 147.4 27.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.08 164.35 37.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.9 Cg_endo -66.51 121.89 9.22 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.332 3.355 . . . . 0.0 109.626 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' GLY . 60.4 p -121.96 -8.54 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.75 157.01 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.84 157.55 37.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 108.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.14 -34.38 3.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.1 tt0 -72.97 -18.59 61.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.07 -49.08 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.32 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -110.32 116.87 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.54 118.46 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 mt -132.97 128.27 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -101.31 120.88 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.5 mt -97.81 97.0 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -50.23 134.66 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.22 140.55 24.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.19 3.91 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -127.98 25.66 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.57 117.13 4.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -53.1 155.97 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.26 121.51 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.85 107.05 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -109.36 118.51 50.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -83.01 94.65 0.83 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.288 3.325 . . . . 0.0 109.613 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.29 51.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' GLN . 21.2 tttt -142.09 -67.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.84 -22.49 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -80.74 3.41 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.8 mt-30 -96.49 -53.91 3.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -66.89 -25.83 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.49 -30.0 30.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.0 t -137.77 62.17 33.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 66.4 Cg_exo -39.78 -27.64 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.358 3.372 . . . . 0.0 109.573 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.7 t70 -80.8 112.24 18.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.42 -13.45 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 10.1 mmtt -77.94 -4.14 45.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -67.99 -48.63 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -100.02 -53.51 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.2 m-70 -70.88 103.74 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -49.37 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.8 31.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.32 170.6 47.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.55 141.34 74.23 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.32 3.346 . . . . 0.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -168.9 24.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 151.14 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.3 mt -108.11 119.11 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 134.0 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.99 -36.92 3.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 40' ' ' GLY . 82.9 t80 -38.2 159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.87 -153.97 24.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.2 ttmt -60.35 -78.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.81 -36.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.67 -57.83 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.4 -52.1 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.14 -136.04 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.36 41.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -111.92 -55.05 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.6 m -122.84 -85.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -42.79 -48.24 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.48 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 13.7 t -54.39 -44.29 72.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.7 m170 -53.93 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -56.13 -22.63 29.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 27.7 tt0 -68.81 -54.93 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.1 mmm -85.21 -8.08 58.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 72.95 14.39 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -120.84 145.42 47.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 63' ' ' THR . . . 97.71 167.62 32.25 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 45.0 Cg_endo -68.45 123.4 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.32 3.347 . . . . 0.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 55' ' ' HIS . 69.2 p -123.44 -7.93 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -96.51 156.95 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.03 158.1 36.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.75 -34.91 3.59 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -72.49 -19.12 61.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.3 -49.14 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.16 104.29 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -116.15 116.75 28.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 116.52 4.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mt -132.35 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.91 121.01 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.7 mt -99.24 98.5 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 132.77 24.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -142.55 139.26 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.12 1.8 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -131.85 31.63 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.723 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.02 123.95 5.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.49 155.68 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.0 t -118.79 118.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 101.93 12.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 39.2 t80 -101.47 124.04 42.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 80.1 Cg_endo -86.29 93.75 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.502 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.2 t-80 -79.71 50.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.607 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -141.22 -68.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -53.64 -22.17 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -80.75 3.56 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.1 mt-30 -94.41 -54.44 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -29.98 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -29.79 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 46.6 t -138.67 61.94 26.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.6 Cg_exo -40.65 -26.62 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.299 3.333 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.6 t70 -81.28 113.36 19.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.55 -14.39 52.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -77.03 -4.32 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.0 mmtt -68.51 -50.57 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 m -97.76 -53.48 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.3 m-70 -71.64 102.88 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.31 -49.61 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -91.43 30.59 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.93 173.38 49.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -55.98 141.03 86.85 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.308 3.339 . . . . 0.0 109.596 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -171.01 23.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 150.21 48.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -107.03 119.55 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.35 -37.56 3.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 73.0 t80 -38.44 160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.93 -154.85 25.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.3 OUTLIER -59.94 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.98 -36.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.61 -57.78 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.23 -52.51 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -71.32 -33.96 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.69 -137.01 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -84.18 42.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.11 -54.99 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.1 m -121.97 -86.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 53' ' ' GLY . 2.9 mtmp? -44.1 -49.8 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.98 -65.26 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.7 t -57.88 -48.0 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 58.7 m170 -48.16 -72.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.01 -21.57 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -61.08 -51.98 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mmm -100.53 3.89 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? 68.26 8.1 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -105.75 147.18 28.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 165.95 37.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.0 Cg_endo -70.03 121.89 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 0.0 109.596 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 55' ' ' HIS . 43.7 p -121.53 -8.83 9.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 157.4 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.21 158.64 36.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.67 -34.77 3.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.6 tt0 -72.71 -18.93 61.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.61 -48.86 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 108.3 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.89 102.67 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 116.42 31.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 119.37 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mt -130.31 129.03 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -95.72 121.5 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 mt -99.49 96.62 7.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 136.42 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -149.03 140.09 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 3.42 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.92 28.72 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.19 117.94 4.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.82 155.69 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.88 122.66 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 108.24 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -109.62 122.43 39.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.72 97.21 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 62.7 t-80 -81.19 48.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.619 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 20.7 tttt -138.13 -68.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.23 -23.36 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -78.47 0.79 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' PRO . 65.6 mt-30 -95.41 -53.68 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -67.03 -26.62 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.34 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 57.0 t -138.56 62.14 27.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 64.1 Cg_exo -39.46 -27.97 0.18 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.326 3.351 . . . . 0.0 109.639 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.4 t70 -80.1 114.41 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 m -83.77 -14.22 52.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.3 mtmt -77.73 -4.05 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -68.32 -48.19 65.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -100.35 -54.04 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.86 110.81 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.89 -48.28 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.16 26.26 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.24 174.22 42.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.09 143.25 96.84 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.362 3.375 . . . . 0.0 109.583 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.25 -164.49 25.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 152.06 44.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.19 119.15 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.17 134.97 35.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.6 -36.79 3.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' GLY . 71.0 t80 -38.5 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 -154.69 25.69 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.6 tttt -60.16 -78.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.62 -36.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.32 -57.81 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.06 -52.55 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.78 -137.13 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 42.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -113.34 -53.98 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.6 m -123.33 -85.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' O ' ' C ' ' A' ' 53' ' ' GLY . 4.1 mtmp? -45.04 -50.88 10.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.95 -64.18 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 45.2 t -58.97 -49.68 76.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.5 m170 -46.36 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.9 -20.96 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.6 tp10 -60.58 -52.17 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.37 4.65 41.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.34 7.63 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 mmtt -104.45 147.58 27.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.53 163.91 37.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 39.3 Cg_endo -66.32 122.65 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.327 3.351 . . . . 0.0 109.572 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 61' ' ' GLY . 59.0 p -122.48 -8.43 8.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -97.28 156.71 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 157.46 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.48 3.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.4 tt0 -72.76 -18.96 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.67 -48.8 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.287 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -87.64 105.13 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -116.41 116.38 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 116.72 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.4 mt -129.48 127.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.75 121.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.0 mt -100.07 100.78 11.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.64 135.27 46.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -143.3 145.81 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 7.09 13.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.466 HD21 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -138.23 31.86 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.625 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.61 123.04 5.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.65 157.3 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.35 123.21 71.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 104.86 17.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.0 t80 -105.92 123.65 38.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 82.4 Cg_endo -87.23 94.15 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.325 3.35 . . . . 0.0 109.571 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.6 t-80 -79.33 50.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.568 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.6 tttt -140.9 -68.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -22.17 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -79.66 1.87 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 57.5 mt-30 -96.05 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -26.35 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.95 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.5 t -137.56 62.23 34.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLN . 63.1 Cg_exo -39.49 -27.89 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.321 3.347 . . . . 0.0 109.579 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' VAL . 28.8 t70 -80.59 113.37 18.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.78 -14.15 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 3.8 mtmm -77.38 -3.94 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -49.54 61.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.21 -53.82 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.1 m-70 -70.01 108.18 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.59 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.56 -55.39 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.64 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 169.83 18.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.37 139.01 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.296 3.331 . . . . 0.0 109.579 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.79 -164.46 25.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 147.89 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -104.0 119.06 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 133.84 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 102.94 -38.44 3.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.9 t80 -34.26 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.22 -162.52 32.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -56.75 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.63 -36.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.16 -56.85 5.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.0 -52.68 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.8 m170 -70.15 -34.58 73.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.57 -132.88 0.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -86.93 38.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.77 -54.49 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.36 -86.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 3.9 mtmp? -41.6 -48.66 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -67.28 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 13.9 t -55.69 -44.16 77.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 47.7 m170 -53.86 -71.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.58 -21.56 10.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 2.8 mm-40 -62.5 -51.88 65.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmm -98.64 0.56 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -105.61 148.17 27.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 63' ' ' THR . . . 91.85 164.77 38.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 39.3 Cg_endo -66.41 123.37 11.05 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.272 3.315 . . . . 0.0 109.627 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' GLY . 64.3 p -122.93 -8.46 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -97.21 156.51 16.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.4 157.99 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 108.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.7 -34.56 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.9 tt0 -72.4 -18.07 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -113.8 -49.69 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CD2' HD21 ' A' ' 10' ' ' ASN . 96.9 m-70 -86.84 100.47 12.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 116.2 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.89 118.26 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -132.01 128.59 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.9 t -100.32 121.05 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 mt -97.76 94.7 7.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 137.78 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -150.22 136.24 18.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -72.15 -4.37 28.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -121.71 28.02 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.684 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.02 124.33 5.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.82 156.61 16.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -120.99 119.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -83.89 108.75 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -110.2 118.28 49.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -83.11 96.33 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.325 3.35 . . . . 0.0 109.589 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 62.3 t-80 -79.27 49.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -140.32 -66.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.42 -24.03 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.16 2.4 24.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' LYS . 83.5 mt-30 -96.59 -53.79 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -67.9 -24.62 65.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.87 -30.33 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.9 t -138.28 63.87 37.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 74.1 Cg_exo -41.72 -26.19 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.287 3.324 . . . . 0.0 109.609 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.1 t0 -78.58 112.15 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.97 -17.19 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.5 mttp -75.43 -6.14 48.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.92 -53.3 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.2 -52.6 4.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 108.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.4 m-70 -72.94 100.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 -50.43 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -91.71 31.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.07 172.2 48.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -52.39 141.62 50.21 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.34 . . . . 0.0 109.555 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.07 -178.59 19.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 148.17 35.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.15 118.6 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -85.06 129.1 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.21 -40.44 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 68.0 t80 -33.83 150.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.62 -160.52 29.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.507 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.1 tttt -57.76 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.35 -37.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' CA ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -70.16 -57.39 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.8 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.6 m170 -71.24 -34.25 70.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.45 -133.28 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.06 38.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.461 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.58 -53.23 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.0 m -125.59 -85.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -42.5 -49.28 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.42 -66.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 9.0 t -55.89 -45.13 78.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 45.8 m170 -53.23 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.18 -21.97 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.9 mm-40 -64.53 -52.88 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 mmm -95.1 -3.28 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 72.43 9.96 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.4 mmpt? -109.3 147.28 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.05 165.26 38.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.3 Cg_endo -65.61 121.76 9.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.317 3.345 . . . . 0.0 109.621 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 61' ' ' GLY . 69.0 p -121.1 -9.28 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -97.48 157.0 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 159.2 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.6 -34.78 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -72.62 -20.25 61.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.48 -48.38 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.313 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.32 101.16 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.98 116.04 29.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.84 115.77 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mt -128.7 128.13 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.54 120.41 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -97.25 95.97 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 135.08 25.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.95 137.64 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -74.19 -1.98 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -124.32 28.19 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.67 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.74 123.75 5.29 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.78 156.25 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.34 117.77 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' H ' ' NZ ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -85.21 106.89 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.8 t80 -106.38 123.51 38.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 98.6 Cg_endo -86.28 95.66 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.256 3.304 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.7 t-80 -80.53 47.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -139.04 -67.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.28 -23.59 15.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.03 1.43 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' PRO . 70.7 mt-30 -95.19 -53.89 3.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -66.7 -26.5 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.6 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.445 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.8 t -138.05 62.43 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 67.7 Cg_exo -40.15 -27.24 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 23.7 t70 -80.44 113.6 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.06 -13.41 53.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 34.2 mttt -78.63 -3.16 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.1 mmtm -69.28 -49.78 52.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -97.97 -53.58 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.5 m-70 -71.3 108.24 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -88.1 -48.91 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -92.43 28.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.3 169.8 44.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.05 139.6 80.02 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.313 3.342 . . . . 0.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.28 -174.34 23.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 148.06 48.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.3 mt -104.81 118.73 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.66 131.28 34.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 106.17 -39.56 2.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 55.6 t80 -33.54 150.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.17 -159.91 27.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.9 tttt -57.91 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.86 -36.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.62 -56.91 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.1 -51.84 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.3 m170 -71.12 -34.06 70.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.08 -133.47 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.0 38.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -108.46 -55.19 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.9 m -123.97 -85.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.491 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.5 OUTLIER -42.05 -48.46 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.25 -69.6 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 15.9 t -53.8 -44.68 70.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.53 ' HB3' HG22 ' A' ' 63' ' ' THR . 42.6 m170 -53.63 -71.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -55.93 -23.36 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.4 tt0 -67.89 -54.22 20.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 mmm -87.17 -3.99 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 15.26 9.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 5.8 mmtp -119.76 145.84 46.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 63' ' ' THR . . . 96.06 166.69 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.6 Cg_endo -68.39 123.09 10.16 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.36 3.374 . . . . 0.0 109.588 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 55' ' ' HIS . 69.8 p -122.65 -9.62 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 157.25 16.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 158.59 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -35.18 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -72.83 -20.7 61.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.427 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 0.6 OUTLIER -110.65 -47.76 3.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -89.23 98.42 11.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.496 ' NZ ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -117.43 118.11 31.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.21 121.25 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.3 mt -132.32 129.37 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.67 121.1 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -97.92 99.95 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.71 132.51 31.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -141.9 142.39 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.6 6.84 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.422 HD21 ' CD2' ' A' ' 69' ' ' HIS . 8.9 p-10 -138.04 32.59 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.654 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.29 122.15 5.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.71 156.68 16.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -119.95 124.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.0 111.38 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -112.6 118.23 45.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.29 96.14 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.283 3.322 . . . . 0.0 109.65 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 62.9 t-80 -79.14 48.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.607 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLN . 10.3 tptt -138.08 -68.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.16 13.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -79.49 2.04 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.4 mt-30 -96.34 -54.14 3.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.47 29.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 60.1 t -140.5 63.79 22.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 70.5 Cg_exo -41.3 -26.51 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.252 3.301 . . . . 0.0 109.605 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.9 t0 -78.82 114.45 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.18 -16.8 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 11.0 mttt -76.18 -5.35 46.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -52.81 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.76 -53.29 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.2 m-70 -71.67 105.24 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -49.71 7.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -91.97 27.3 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.52 172.46 46.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -52.11 141.97 46.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.369 3.38 . . . . 0.0 109.576 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.9 -176.9 19.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -60.39 151.2 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.68 119.2 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.42 133.76 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.11 -37.68 3.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' GLY . 83.9 t80 -38.62 160.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.38 -154.51 25.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.3 tttt -60.1 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.46 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.74 -57.98 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.96 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.71 -34.37 69.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.575 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.03 -138.24 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -83.71 43.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.0 -56.47 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.6 m -121.0 -84.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.478 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 2.5 mtmp? -45.11 -48.73 12.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -66.67 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.6 t -56.18 -44.79 79.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.531 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.0 m170 -52.39 -72.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.99 -21.67 12.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 3.3 mm-40 -63.14 -52.38 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mmm -96.58 0.22 49.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.3 8.37 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -107.91 147.82 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.13 165.04 38.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 44.2 Cg_endo -67.5 122.06 9.23 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.297 3.332 . . . . 0.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 55' ' ' HIS . 44.5 p -122.02 -8.43 8.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -96.15 156.85 16.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.17 157.89 36.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.15 -34.78 3.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.6 tt0 -72.95 -19.62 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.78 -48.67 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.422 ' CD2' HD21 ' A' ' 10' ' ' ASN . 97.0 m-70 -88.14 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -115.17 116.81 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mttm . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.2 116.65 13.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.07 127.46 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.38 120.26 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.7 mt -97.85 110.62 23.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 135.85 57.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.58 139.72 25.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -75.24 -0.99 21.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -125.94 29.3 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.662 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.35 125.41 5.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.38 157.37 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -120.65 125.91 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 109.6 20.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -111.46 119.01 46.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.85 95.49 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.326 3.351 . . . . 0.0 109.592 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.12 48.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.5 ttpp -139.59 -66.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.15 -23.82 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -79.59 2.38 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LYS . 85.3 mt-30 -95.97 -53.67 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.55 -26.18 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.67 -29.07 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 t -139.52 65.13 32.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 79.0 Cg_exo -43.3 -25.07 0.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.316 3.344 . . . . 0.0 109.578 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.0 t0 -80.14 112.25 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.38 -16.17 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.9 mtmm -76.17 -5.77 48.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.292 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.6 m-70 -73.2 101.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.631 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.55 -50.2 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -91.89 31.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.44 172.9 49.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -53.53 142.16 60.44 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.301 3.334 . . . . 0.0 109.58 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.89 -172.83 22.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 152.01 44.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.6 mt -108.45 118.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -81.76 133.33 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.02 -37.81 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 67.4 t80 -39.5 162.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -152.56 23.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 5.1 tttt -60.98 -78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.97 -35.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' LYS . 2.0 tpt -70.98 -58.21 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.54 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m170 -72.16 -34.5 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.37 -137.46 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -84.06 44.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.6 -57.25 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -120.87 -83.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 55' ' ' HIS . 2.2 mtmt -45.24 -47.25 12.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.72 -69.4 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.7 t -53.66 -43.24 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.555 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.3 m170 -54.11 -70.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -59.05 -21.22 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 17.4 tt0 -66.54 -53.71 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmm -89.04 -5.59 57.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.07 12.31 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 23.3 mmtt -117.7 145.96 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.02 167.14 31.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 67.5 Cg_endo -71.54 122.74 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.297 3.331 . . . . 0.0 109.556 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 55' ' ' HIS . 39.0 p -122.43 -8.94 8.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 156.88 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.29 159.15 35.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.37 -34.78 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.9 tt0 -72.73 -19.09 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -112.44 -49.1 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -87.3 101.3 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.571 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -119.59 115.82 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 119.62 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.11 129.1 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.2 t -101.77 121.17 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.51 91.73 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 138.91 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.64 139.54 25.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -2.62 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.9 p-10 -130.18 34.78 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.907 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.5 128.58 6.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.2 156.94 32.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.6 119.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -83.64 109.73 17.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -111.5 117.07 49.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -82.97 93.11 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.27 3.313 . . . . 0.0 109.629 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -77.02 52.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -140.33 -69.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.4 -21.55 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -81.51 4.71 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 34.7 mt-30 -96.14 -55.09 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.86 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.05 53.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.478 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -137.54 61.01 28.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.9 Cg_exo -38.81 -27.62 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.296 0 C-N-CA 124.343 3.362 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -77.77 113.99 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.45 -18.29 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.3 OUTLIER -74.68 -5.51 43.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -53.33 29.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -94.82 -53.09 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.1 m-70 -71.66 104.53 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.608 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -49.36 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.55 31.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.73 174.14 49.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.96 141.86 96.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.33 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.51 -170.18 23.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 151.65 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.0 mt -108.34 119.24 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.36 132.16 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 105.14 -38.38 3.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 34.5 t80 -38.17 159.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 163.77 -151.15 20.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -62.4 -78.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.8 -36.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -71.18 -57.48 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.7 -51.67 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.6 m170 -72.16 -34.14 68.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.9 -136.12 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.73 40.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.22 -56.14 0.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -121.73 -86.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 11.0 mtmt -42.67 -48.49 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.4 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.7 t -55.22 -45.08 75.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB3' HG22 ' A' ' 63' ' ' THR . 45.5 m170 -52.33 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -54.18 -22.63 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 5.8 mm-40 -65.66 -54.19 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmm -90.65 -3.94 57.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.37 11.89 6.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.2 mtpm? -113.71 146.6 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 63' ' ' THR . . . 94.34 165.73 36.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 57.6 Cg_endo -68.98 121.96 8.83 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.38 3.387 . . . . 0.0 109.613 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.583 HG22 ' HB3' ' A' ' 55' ' ' HIS . 41.4 p -121.62 -9.64 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 156.97 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.1 158.23 36.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.43 3.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -73.94 -21.33 60.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -46.97 3.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 108.361 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -90.57 98.46 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -114.93 122.94 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 116.89 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.2 128.69 64.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.21 119.82 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 mt -97.46 98.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 133.12 28.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -142.81 141.39 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -78.97 4.21 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -134.07 30.67 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.69 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.65 124.24 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.93 156.35 17.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -119.45 119.71 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 105.6 16.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -107.1 118.99 52.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.15 94.93 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.315 3.343 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.67 50.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.619 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.8 tptt -139.79 -68.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.44 -22.46 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -81.28 5.08 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -95.93 -54.65 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -28.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -31.65 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 47.6 t -137.21 60.97 30.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.6 Cg_exo -38.84 -27.69 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.36 . . . . 0.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' VAL . 49.4 t0 -80.09 116.93 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.42 -17.69 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mtpt -74.33 -4.15 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -68.13 -54.33 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 m -95.07 -53.55 3.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.84 114.2 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.643 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -47.94 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -91.33 30.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 92.85 172.09 40.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -66.16 134.06 35.26 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.35 . . . . 0.0 109.605 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.13 -161.08 28.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 150.72 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.25 119.35 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.07 132.22 34.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.23 -39.16 2.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' GLY . 71.4 t80 -33.37 149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -160.05 27.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.2 tttt -57.9 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.05 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.71 -52.92 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.0 -33.71 72.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.15 -132.42 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -88.11 36.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.0 -52.6 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.74 -85.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 2.8 mtmt -40.93 -50.37 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.15 -70.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 49.6 t -54.34 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -50.09 -70.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -57.1 -23.93 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 11.5 tt0 -69.09 -57.06 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.0 mmm -80.48 -10.21 59.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 16.61 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.8 mttt -124.3 144.39 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 63' ' ' THR . . . 99.79 166.72 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 42.9 Cg_endo -67.6 122.91 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.325 3.35 . . . . 0.0 109.59 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 55' ' ' HIS . 82.2 p -122.93 -8.06 8.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.89 156.64 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 157.4 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.46 -34.39 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.3 tt0 -72.62 -20.71 61.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.75 -48.64 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 108.319 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.86 100.83 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.82 116.19 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.29 116.69 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.58 129.1 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.23 121.7 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.32 100.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -51.74 136.71 27.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -148.74 139.54 22.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.15 1.16 19.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' A' ' 10' ' ' ASN . 20.1 t-20 -125.5 23.98 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 105.97 118.81 4.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -51.76 155.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.64 123.24 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.1 102.99 15.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -102.75 122.89 44.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -87.08 92.96 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 0.0 109.565 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.3 t-80 -79.06 50.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -140.17 -67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.61 -23.02 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.0 1.42 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 75.7 mt-30 -95.23 -53.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -26.52 66.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.38 -29.07 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 51.2 t -138.79 62.92 30.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 69.7 Cg_exo -40.5 -27.06 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.282 3.321 . . . . 0.0 109.651 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' VAL . 25.0 t0 -81.17 114.62 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -84.08 -14.31 50.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.5 mtmp? -77.09 -3.76 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -50.17 54.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -98.59 -53.69 3.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.6 m-70 -70.1 110.19 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.7 -48.6 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -92.53 28.65 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.61 176.84 45.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.16 139.87 86.13 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.337 3.358 . . . . 0.0 109.6 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.59 -173.4 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 147.28 45.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.4 mt -104.19 119.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.87 133.84 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.91 -37.05 3.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.5 t80 -38.42 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.14 -155.35 26.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.561 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.0 OUTLIER -60.27 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.25 -36.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.35 -57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -52.68 47.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.8 -33.66 70.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.25 -134.48 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 39.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.99 -54.33 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.6 m -122.95 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 5.4 mtmt -42.18 -48.4 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.28 -67.57 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 57' ' ' GLU . 13.1 t -55.48 -43.83 75.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 46.4 m170 -54.18 -72.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.34 -21.85 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 3.9 mm-40 -64.06 -52.06 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmm -96.17 -1.69 47.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 9.4 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -109.35 147.45 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.4 165.41 37.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.7 Cg_endo -66.31 123.43 11.17 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.266 3.311 . . . . 0.0 109.594 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 61' ' ' GLY . 71.4 p -122.42 -8.67 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.65 157.85 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 158.44 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.45 -35.65 3.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.7 tt0 -71.83 -19.73 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -111.78 -49.61 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.439 ' HB3' ' O ' ' A' ' 10' ' ' ASN . 97.3 m-70 -86.49 106.5 17.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -106.75 115.3 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.33 117.76 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.9 mt -130.61 128.55 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -97.48 119.63 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 mt -95.75 113.94 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 132.28 48.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -148.16 135.39 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.32 -6.32 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.63 25.43 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.01 125.53 5.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.89 156.94 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.24 130.23 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 3.3 tmtt? -92.13 113.64 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -115.28 122.56 32.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -86.84 92.73 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.354 3.369 . . . . 0.0 109.582 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.4 t-80 -77.61 51.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -141.78 -68.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.92 -24.91 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -76.02 -1.63 26.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.3 mt-30 -93.66 -52.28 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -66.95 -26.97 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.67 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -139.33 62.73 26.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.1 Cg_exo -40.6 -27.14 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.274 3.316 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 25.0 t70 -79.58 114.12 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.82 -15.21 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.5 mtmt -77.04 -3.81 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -68.14 -52.0 39.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 m -96.68 -54.0 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 108.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.6 m-70 -69.74 114.68 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.659 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.46 -48.05 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -91.56 30.01 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 94.44 172.02 38.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.61 138.37 45.34 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.278 3.318 . . . . 0.0 109.613 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.35 -161.98 27.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 152.54 45.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.09 118.76 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.78 128.58 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.49 -41.16 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' C ' ' O ' ' A' ' 40' ' ' GLY . 82.0 t80 -33.11 149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.65 -162.94 32.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 44' ' ' GLU . 2.8 tttt -52.18 -77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.66 -38.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -54.42 10.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.17 37.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -72.51 -35.48 68.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -69.32 -137.15 0.09 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.03 39.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.49 -52.05 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.3 m -125.26 -87.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -42.52 -51.73 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.64 -63.91 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.5 t -59.02 -50.27 74.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 50.0 m170 -46.32 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.78 -20.67 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.2 tp10 -60.54 -52.72 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -100.48 2.85 42.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.08 4.71 5.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 7.8 mttt -101.33 155.37 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 63' ' ' THR . . . 86.89 162.44 37.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.413 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 50.1 Cg_endo -67.33 122.3 9.54 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.275 3.316 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.468 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 59.7 p -121.05 -9.62 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 157.0 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.49 158.43 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.96 -34.48 3.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.4 tt0 -73.29 -19.99 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.49 -48.32 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -88.03 110.8 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -129.96 116.87 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.16 116.47 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mt -128.18 128.45 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.27 120.19 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.9 mt -96.65 98.59 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 134.9 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -147.44 139.14 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 1.13 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -126.68 27.29 6.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.54 122.19 5.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.41 157.21 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -121.54 119.94 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -85.95 108.96 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -110.0 122.52 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -86.32 95.89 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.264 3.309 . . . . 0.0 109.595 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.97 47.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.7 tttm -138.21 -67.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -22.8 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -80.9 3.94 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' PRO . 80.7 mt-30 -95.43 -54.73 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -29.18 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.228 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.8 -30.4 51.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.48 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.4 t -138.26 61.49 26.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.1 Cg_exo -39.78 -27.18 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.317 3.344 . . . . 0.0 109.631 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 60.7 t0 -79.36 113.24 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.24 -14.98 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 108.286 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.2 mttt -77.65 -4.1 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -68.93 -50.9 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.54 -53.32 3.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.258 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 94.3 m-70 -72.12 105.66 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.48 -49.51 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.14 30.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.63 169.15 45.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -52.67 141.2 54.27 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.323 3.349 . . . . 0.0 109.61 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 -179.66 18.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.64 19.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -107.95 118.59 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.3 132.11 35.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.41 -39.54 2.81 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 75.9 t80 -33.69 150.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.29 -159.27 26.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -58.29 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.1 -36.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.38 -56.66 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.24 -52.15 54.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.81 -34.21 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.23 -133.52 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.5 37.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -107.2 -53.36 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.5 m -126.03 -85.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 0.3 OUTLIER -41.72 -49.6 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.15 -69.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.6 t -54.13 -45.69 72.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 41.4 m170 -51.94 -70.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.74 -22.98 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.1 tt0 -68.1 -55.19 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.4 mmm -84.56 -8.66 58.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.29 15.28 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.6 mmpt? -121.42 145.15 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 63' ' ' THR . . . 97.9 165.74 31.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 43.3 Cg_endo -67.05 122.94 10.33 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.302 3.335 . . . . 0.0 109.611 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 55' ' ' HIS . 58.6 p -123.0 -8.33 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.411 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 155.7 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.43 157.74 36.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.29 -34.61 3.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.5 tt0 -72.74 -20.72 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 -48.37 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -88.22 101.03 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.629 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -101.64 114.99 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.66 119.42 12.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -133.66 128.64 54.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -101.42 124.58 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.27 100.6 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 141.14 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.66 143.67 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -81.08 5.77 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -133.47 29.07 3.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.83 115.73 4.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -52.71 155.89 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.13 128.71 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 108.92 20.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -108.73 120.62 45.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -84.75 96.68 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.358 3.372 . . . . 0.0 109.625 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 66.1 t-80 -80.63 49.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.586 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -140.47 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.34 -23.99 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.77 0.89 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.3 mt-30 -95.65 -54.82 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -24.73 66.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.24 -28.8 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.0 t -139.16 62.37 25.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 68.3 Cg_exo -40.12 -27.45 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.333 3.355 . . . . 0.0 109.607 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.8 t70 -79.79 111.22 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -81.57 -13.33 58.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 8.2 mttt -78.1 -4.16 45.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -68.31 -49.81 57.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 m -98.33 -52.98 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 93.6 m-70 -72.53 100.07 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.652 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -49.92 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -91.35 31.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 169.35 45.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -51.06 142.86 33.48 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.271 3.314 . . . . 0.0 109.607 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.5 -165.04 25.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 152.35 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.727 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.36 119.25 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.8 135.75 34.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.0 -36.25 4.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 69.5 t80 -38.47 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.82 -156.07 27.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.2 tttt -60.29 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.68 -36.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.8 tpt -69.89 -57.19 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.07 -52.62 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.9 m170 -70.17 -34.02 72.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.97 -134.28 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -86.98 39.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.24 -52.79 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.3 m -124.76 -86.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 3.3 mtmp? -41.46 -49.18 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -69.38 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 25.3 t -54.07 -43.66 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.52 ' HB3' HG22 ' A' ' 63' ' ' THR . 43.8 m170 -54.26 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 14.1 tt0 -66.63 -52.73 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mmm -91.44 -1.08 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 12.67 8.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.5 mmtt -116.24 146.72 42.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 63' ' ' THR . . . 95.45 166.78 35.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 47.0 Cg_endo -68.37 123.79 10.94 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 55' ' ' HIS . 71.6 p -123.8 -7.12 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.56 156.29 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.91 157.97 36.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 108.276 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -34.57 3.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.7 tt0 -72.62 -19.17 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -112.59 -48.69 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.255 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.78 102.63 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -109.56 116.55 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -122.58 -40.5 2.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.308 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.11 118.34 11.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -131.92 128.83 60.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -100.49 121.43 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 26.7 mt -97.64 99.94 11.32 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.256 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 137.31 30.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -150.15 140.32 22.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HG3' ' CGA' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -79.14 4.01 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -129.65 27.5 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.26 118.48 4.48 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -56.38 156.32 6.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -119.25 125.9 74.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 110.01 21.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 56.5 t80 -111.31 122.24 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.51 95.96 0.52 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.255 3.303 . . . . 0.0 109.547 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.0 t-80 -80.2 50.52 1.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 109.626 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 4.7 tttt -140.35 -68.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.45 -24.4 20.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -77.46 -0.17 24.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.4 mt-30 -94.39 -53.81 3.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -67.26 -26.66 66.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.69 -27.79 31.01 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -140.61 63.24 20.44 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.5 Cg_exo -41.04 -26.66 0.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.292 3.328 . . . . 0.0 109.601 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.64 115.53 18.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.58 -17.16 34.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 108.294 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 21.4 mttt -75.73 -5.24 44.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.14 -53.38 31.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -94.55 -53.17 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 108.304 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.453 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.6 m-70 -71.31 105.25 3.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.618 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.88 -49.56 7.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -91.89 31.24 1.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.02 169.94 46.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.536 1.148 . . . . 0.0 111.024 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.04 141.31 79.5 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.295 3.33 . . . . 0.0 109.598 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.7 -165.89 25.74 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.499 1.124 . . . . 0.0 110.972 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 151.48 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.2 mt -107.71 119.11 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.25 132.41 34.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 104.72 -39.18 2.93 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.507 1.13 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 52.2 t80 -33.61 150.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.797 . . . . 0.0 111.03 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.47 -160.39 27.93 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 4.1 tttt -57.95 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.76 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.93 -37.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.263 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -69.31 -56.5 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -53.1 43.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.9 m170 -69.49 -34.56 74.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.584 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.29 -133.18 0.2 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -86.83 37.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.71 -50.33 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.503 1.127 . . . . 0.0 110.941 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 78.5 m -128.3 -86.09 0.57 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.556 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 2.6 mtmp? -42.19 -52.3 4.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.351 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.506 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -28.63 -64.84 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 47.5 t -58.74 -50.56 73.46 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.478 ' N ' ' O ' ' A' ' 52' ' ' LYS . 47.5 m170 -45.76 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.625 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.98 -21.06 7.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.1 tp10 -60.31 -52.3 65.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -101.3 2.45 39.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 110.957 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.25 5.7 5.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 31.6 mmtt -102.39 148.07 25.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.465 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.44 162.88 37.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.54 1.15 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.427 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 36.4 Cg_endo -65.55 121.99 9.54 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.324 3.35 . . . . 0.0 109.595 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 61' ' ' GLY . 81.6 p -121.54 -8.83 9.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.393 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.17 157.0 16.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.98 157.69 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 108.346 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.09 -34.44 3.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.485 1.116 . . . . 0.0 110.997 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.8 tt0 -72.95 -18.56 61.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.525 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.11 -49.1 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.335 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.32 104.61 16.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.568 1.167 . . . . 0.0 109.608 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 116.03 30.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.3 mttp . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.328 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.453 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.635 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.569 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -37.37 -39.03 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.72 117.32 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.1 mt -130.49 128.75 64.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -98.31 121.1 48.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.8 mt -99.06 98.27 9.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.71 134.35 24.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.813 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -144.75 135.06 24.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -5.78 33.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -123.36 31.6 5.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.813 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.77 126.0 5.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.486 1.117 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -61.9 156.41 20.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 0.744 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.7 t -119.12 123.15 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.17 109.64 20.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -110.54 122.74 37.56 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -86.6 93.4 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.311 3.34 . . . . 0.0 109.593 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.2 t-80 -78.46 51.06 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.584 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 1.3 tttp -141.32 -68.04 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.04 -25.58 22.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -76.1 -1.33 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.598 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.0 mt-30 -93.67 -52.01 4.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -67.88 -26.89 66.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.12 -28.36 29.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.45 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.6 t -139.38 62.45 24.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.232 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.45 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.3 Cg_exo -40.5 -27.24 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.325 3.35 . . . . 0.0 109.597 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -78.53 113.6 16.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.76 -15.65 44.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.6 mtmp? -76.87 -5.17 47.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.35 -51.84 47.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.7 m -95.77 -53.1 3.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 108.288 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.447 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.87 103.01 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -83.53 -49.96 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mtmp? -91.45 31.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.63 170.94 47.64 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -54.62 140.89 75.91 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.336 3.358 . . . . 0.0 109.56 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.2 -164.47 26.52 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mppp? -72.05 150.82 43.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.1 mt -107.63 118.93 56.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -84.36 133.79 34.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.27 -36.93 3.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 70.6 t80 -38.12 159.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 111.036 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.42 -153.41 23.87 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.7 tttt -60.95 -78.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.741 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.87 -36.61 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.3 -57.54 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.75 -52.12 51.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.575 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.1 m170 -70.92 -34.15 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.602 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.56 -134.96 0.35 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -86.28 39.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 0.772 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.03 -54.58 0.55 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 78.1 m -123.47 -85.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.706 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 9.5 mtmm -42.49 -49.07 5.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.79 -67.49 0.19 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.457 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 11.3 t -55.29 -44.91 76.15 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.484 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.3 m170 -53.49 -71.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.3 OUTLIER -55.4 -21.79 17.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 3.7 mm-40 -63.07 -52.8 61.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mmm -96.62 2.11 51.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 72.17 5.49 5.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -103.47 165.31 11.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.505 ' O ' HG23 ' A' ' 63' ' ' THR . . . 76.3 159.46 9.07 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.513 1.133 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 34.9 Cg_endo -64.16 122.5 10.5 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.297 3.331 . . . . 0.0 109.627 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 61' ' ' GLY . 43.8 p -120.51 -9.54 9.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.05 156.12 16.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.39 157.85 37.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.44 3.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -73.2 -19.35 61.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 0.791 . . . . 0.0 110.312 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.531 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -112.28 -48.6 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 108.264 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.13 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.611 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -115.9 115.65 26.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.447 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.474 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.706 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -169.87 -41.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.46 115.53 7.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.595 HD11 ' O1A' ' A' ' 130' ' ' HEM . 13.8 mt -128.9 128.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -97.94 121.03 48.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.0 mt -98.19 95.8 7.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.04 135.57 15.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.604 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.25 141.23 27.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -78.93 3.69 16.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -132.14 29.93 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.604 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.0 121.95 5.01 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -58.71 156.53 10.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 0.737 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -119.71 122.0 67.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.01 109.17 19.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.415 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 42.4 t80 -109.88 122.94 37.59 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -86.55 93.7 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.182 0 C-N-CA 124.285 3.324 . . . . 0.0 109.583 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.0 t-80 -78.9 50.39 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.617 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 12.2 tttt -140.51 -68.17 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.01 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -77.67 0.04 24.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.607 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 25' ' ' PRO . 68.9 mt-30 -94.21 -53.15 4.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.312 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -67.41 -27.17 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.1 -28.54 32.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.6 t -139.44 62.59 24.8 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.0 Cg_exo -40.35 -27.11 0.24 Allowed 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.317 3.344 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.99 118.05 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.313 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -88.32 -18.31 28.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 108.252 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.8 mmmt -74.53 -4.87 39.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -67.47 -54.74 17.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -93.67 -53.02 4.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 108.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.0 m-70 -70.79 113.14 7.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.566 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.06 -47.81 6.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -92.15 24.78 3.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.12 173.83 39.07 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.486 1.116 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -59.89 141.01 95.77 Favored 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 124.324 3.349 . . . . 0.0 109.669 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.29 -164.77 25.87 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.21 147.66 49.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.5 mt -103.26 119.36 51.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -83.52 131.18 35.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.349 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.91 -39.32 2.9 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.443 ' C ' ' O ' ' A' ' 40' ' ' GLY . 54.1 t80 -33.67 150.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 0.749 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.04 -160.5 28.51 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -57.94 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.99 -36.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.5 -56.58 6.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.31 -52.25 54.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.567 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.0 m170 -70.93 -34.26 71.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.603 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.0 -134.25 0.2 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.08 38.87 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.38 -55.12 0.59 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.5 m -123.57 -85.71 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.653 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.1 OUTLIER -41.77 -48.65 4.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.21 -69.61 0.15 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 22.7 t -53.68 -44.76 69.96 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.579 ' HB3' HG22 ' A' ' 63' ' ' THR . 45.6 m170 -53.09 -71.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.135 . . . . 0.0 109.635 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.04 -22.99 43.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 23.1 tt0 -67.34 -54.79 17.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.264 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.6 mmm -86.09 -7.4 58.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 72.99 14.02 4.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 43.5 mttm -119.7 145.86 46.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.423 ' O ' HG23 ' A' ' 63' ' ' THR . . . 96.81 166.97 33.33 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.4 Cg_endo -68.97 123.02 9.92 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.282 3.322 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.579 HG22 ' HB3' ' A' ' 55' ' ' HIS . 44.5 p -123.45 -8.09 8.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.398 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -95.04 156.37 16.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.88 157.85 36.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.0 -34.77 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.2 tt0 -72.65 -19.95 61.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 0.74 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.532 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.59 -48.75 3.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 108.309 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -88.01 101.9 14.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.629 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -106.42 116.7 32.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.595 ' O1A' HD11 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.54 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.653 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -172.63 -40.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.64 116.88 12.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 51.8 mt -131.52 128.76 61.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.4 t -99.78 121.34 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 43.2 mt -98.85 97.56 8.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 135.72 25.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -147.45 134.98 20.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -6.61 36.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -119.9 29.18 7.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.721 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.29 124.51 5.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.9 p30 -60.44 156.12 16.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -119.9 121.35 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.58 107.32 18.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -107.25 122.71 40.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -86.7 93.78 0.53 Allowed 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.353 3.369 . . . . 0.0 109.581 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.521 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 58.2 t-80 -79.48 49.63 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.587 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.46 ' C ' ' CD ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -138.56 -68.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.97 -24.84 25.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -76.24 -1.49 26.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.584 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' PRO . 88.6 mt-30 -93.83 -52.92 4.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -67.19 -26.68 66.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.89 30.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 54.9 t -139.22 62.61 26.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' GLN . 68.8 Cg_exo -40.18 -27.34 0.23 Allowed 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.345 3.363 . . . . 0.0 109.587 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.1 t0 -78.48 115.46 18.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.64 -16.19 37.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 12.5 mttp -76.84 -4.5 43.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' NZ ' HBC1 ' A' ' 154' ' ' HEM . 3.0 mmmp? -67.94 -52.04 40.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -95.76 -53.5 3.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.7 m-70 -70.84 109.49 5.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -89.88 -55.72 3.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.18 0.78 26.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.087 . . . . 0.0 109.302 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.0 170.1 17.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.488 1.117 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -50.44 137.55 39.78 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.357 3.371 . . . . 0.0 109.556 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.22 -167.88 25.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.448 1.093 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 147.07 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.7 mt -104.2 119.71 53.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 134.52 35.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.2 -37.07 3.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 40' ' ' GLY . 74.9 t80 -37.68 158.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 0.755 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 165.4 -154.67 25.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.8 OUTLIER -60.4 -78.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.269 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.7 -36.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.14 -57.54 4.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.55 -53.02 42.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -70.54 -34.11 71.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.638 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.58 -136.6 0.43 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.477 1.111 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.03 40.48 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' O ' HMC1 ' A' ' 154' ' ' HEM . . . -111.18 -52.3 0.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.539 1.149 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.426 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 78.3 m -124.7 -86.38 0.63 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.712 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 5.1 mtmp? -43.66 -51.7 6.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.497 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.54 -63.58 0.14 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.492 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.6 t -59.02 -50.45 74.03 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' LYS . 57.0 m170 -46.15 -70.63 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.635 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.52 -20.98 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 1.8 tp10 -61.12 -53.21 59.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mmm -99.46 4.91 46.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 73.17 2.46 4.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' O ' ' CA ' ' A' ' 55' ' ' HIS . 8.0 mmtt -99.5 166.66 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' ' 63' ' ' THR . . . 76.36 156.02 6.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 27.5 Cg_endo -62.75 122.69 11.1 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.368 3.378 . . . . 0.0 109.571 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 61' ' ' GLY . 45.4 p -119.85 -9.99 9.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.402 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.06 156.08 16.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.28 157.7 37.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 108.256 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.21 3.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.519 1.137 . . . . 0.0 110.999 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.8 tt0 -72.61 -18.85 61.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 0.752 . . . . 0.0 110.275 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.27 -49.35 2.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.8 m-70 -87.17 101.54 13.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.566 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -113.66 116.38 29.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.0 tptt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.44 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.538 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.712 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -38.43 -37.24 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.36 117.26 13.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.4 mt -129.16 128.73 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.9 t -98.5 121.1 48.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 25.9 mt -98.27 100.79 12.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 138.07 31.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.92 141.41 26.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 2.75 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.432 HD21 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -134.17 32.72 3.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.715 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.34 123.44 5.27 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -61.95 157.4 18.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.8 t -119.22 125.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.236 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.34 109.43 20.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -109.97 122.85 37.78 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -86.62 96.2 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.336 3.357 . . . . 0.0 109.619 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 63.1 t-80 -80.58 48.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.615 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 34.0 tptt -139.25 -68.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.11 -24.81 19.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.432 1.082 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.0 m80 -76.8 -0.71 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 109.623 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 25' ' ' PRO . 87.5 mt-30 -94.04 -53.63 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 110.252 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -67.43 -26.42 66.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.85 -28.07 30.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.439 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 59.1 t -140.52 63.43 21.43 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' GLN . 72.8 Cg_exo -41.33 -26.52 0.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.314 3.343 . . . . 0.0 109.631 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 65.3 t0 -79.13 114.13 17.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.31 -16.64 39.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.32 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 8.3 mttt -75.94 -5.16 44.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.36 -53.74 26.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.0 m -93.98 -53.25 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 108.267 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.444 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.48 106.44 3.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.555 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -85.53 -49.85 7.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -92.53 30.3 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.59 171.29 47.64 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.538 1.149 . . . . 0.0 111.038 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -54.03 140.87 69.52 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.324 3.349 . . . . 0.0 109.593 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 141.79 -164.1 26.8 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.11 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.1 148.09 44.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.5 mt -104.99 119.08 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -84.43 135.59 34.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.37 -36.32 4.29 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.6 t80 -37.85 159.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 0.776 . . . . 0.0 111.019 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.72 -155.57 27.03 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.0 tttt -59.97 -78.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 0.78 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.82 -37.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -69.69 -57.24 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 111.025 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.77 -52.66 47.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.7 m170 -69.95 -34.49 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.579 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.19 -135.76 0.35 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.526 1.141 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -85.52 38.86 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 0.759 . . . . 0.0 109.258 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.25 -50.98 0.69 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.7 m -126.35 -86.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.672 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 1.0 OUTLIER -42.83 -51.81 5.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.501 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.04 -64.37 0.11 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.52 1.138 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 44.6 t -59.06 -50.39 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.4 m170 -45.73 -71.21 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.649 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.67 -21.49 7.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.0 tp10 -60.19 -52.26 66.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.45 4.51 41.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.29 7.61 6.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -103.95 147.82 26.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' ' 63' ' ' THR . . . 91.5 164.37 39.01 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.0 Cg_endo -65.75 122.06 9.58 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.265 3.31 . . . . 0.0 109.636 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.48 HG23 ' O ' ' A' ' 61' ' ' GLY . 60.1 p -122.13 -8.64 8.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.414 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.51 157.52 16.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.34 158.49 34.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 108.257 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.83 -34.68 3.5 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -72.33 -18.86 61.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 110.314 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.04 -49.04 2.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 108.281 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.38 103.47 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.601 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -113.08 116.35 29.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.444 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.633 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.672 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -107.81 -43.18 4.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.99 115.71 4.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.3 mt -130.64 128.6 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -100.03 121.25 50.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 68.0 mt -98.75 92.91 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.29 135.21 10.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -145.35 141.39 28.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 2.86 16.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -130.63 28.95 4.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.56 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.03 120.38 4.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.0 p30 -56.44 156.13 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 0.776 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.6 t -119.41 121.08 65.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -86.36 106.1 17.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 35.0 t80 -106.06 123.09 40.19 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' PHE . 85.7 Cg_endo -86.6 94.97 0.52 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.31 3.34 . . . . 0.0 109.637 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.467 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 63.4 t-80 -80.16 48.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.616 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB2' ' CB ' ' A' ' 2' ' ' ASP . 1.0 OUTLIER -137.47 -69.01 0.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.271 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.65 -24.21 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 55.2 m80 -77.27 0.12 23.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.118 . . . . 0.0 109.618 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.4 mt-30 -95.07 -54.19 3.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm -67.75 -25.97 65.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.9 -27.98 30.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.435 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -140.73 63.33 19.95 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 71.5 Cg_exo -41.03 -27.07 0.3 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.267 3.311 . . . . 0.0 109.624 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.5 t0 -78.64 114.06 17.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -85.34 -16.7 39.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 1.0 OUTLIER -75.97 -5.57 46.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -66.96 -52.09 47.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.9 m -95.99 -53.41 3.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 108.283 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 95.0 m-70 -71.13 102.97 2.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.76 -50.33 8.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -91.77 31.21 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 84.68 175.96 50.84 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.504 1.128 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -57.41 140.62 93.67 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.364 3.376 . . . . 0.0 109.565 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.34 -170.91 23.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.539 1.149 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HA ' ' CGD' ' A' ' 130' ' ' HEM . 0.0 OUTLIER -65.78 146.69 54.47 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.513 0.772 . . . . 0.0 109.299 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.1 mt -103.53 118.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -84.2 134.14 34.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.32 -36.57 4.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 40' ' ' GLY . 52.5 t80 -38.27 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 0.773 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.9 -157.42 29.46 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.7 OUTLIER -59.3 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 0.74 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.7 tpt -69.48 -57.41 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.59 -52.96 43.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.6 m170 -69.69 -34.53 74.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.621 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.37 -135.32 0.35 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.9 tptt -85.55 39.16 0.77 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 0.779 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -109.59 -52.4 0.62 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -124.92 -86.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.572 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 1.4 mtmp? -43.14 -51.41 5.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.241 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.502 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.27 -64.38 0.12 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.9 t -59.11 -50.29 74.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.7 m170 -45.47 -71.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.608 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.15 -21.07 7.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.9 tp10 -60.48 -52.14 66.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 mmm -101.21 4.25 41.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.63 7.56 6.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 11.3 mmtm -104.83 147.4 27.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.08 164.35 37.57 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.476 1.11 . . . . 0.0 111.032 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.9 Cg_endo -66.51 121.89 9.22 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.332 3.355 . . . . 0.0 109.626 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' GLY . 60.4 p -121.96 -8.54 8.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.75 157.01 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.84 157.55 37.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 108.252 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.14 -34.38 3.8 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.413 1.071 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.1 tt0 -72.97 -18.59 61.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 110.269 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.532 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -113.07 -49.08 2.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 108.282 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.562 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.32 104.35 16.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -110.32 116.87 32.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 tttt . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.459 ' CGD' ' HA ' ' A' ' 37' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.629 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.572 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -110.8 -39.58 4.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.34 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.54 118.46 10.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 mt -132.97 128.27 56.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.7 t -101.31 120.88 51.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 35.5 mt -97.81 97.0 8.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -50.23 134.66 22.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -148.22 140.55 24.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' HG3' ' CGA' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -79.19 3.91 16.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -127.98 25.66 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.57 117.13 4.31 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -53.1 155.97 2.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.2 t -119.26 121.51 66.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.85 107.05 18.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -109.36 118.51 50.65 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -83.01 94.65 0.83 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.288 3.325 . . . . 0.0 109.613 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.29 51.78 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 21' ' ' GLN . 21.2 tttt -142.09 -67.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.84 -22.49 9.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m80 -80.74 3.41 22.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.605 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.8 mt-30 -96.49 -53.91 3.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -66.89 -25.83 66.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.49 -30.0 30.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.0 t -137.77 62.17 33.26 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 66.4 Cg_exo -39.78 -27.64 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.358 3.372 . . . . 0.0 109.573 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.7 t70 -80.8 112.24 18.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -81.42 -13.45 58.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 108.294 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 10.1 mmtt -77.94 -4.14 45.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -67.99 -48.63 65.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -100.02 -53.51 3.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.2 m-70 -70.88 103.74 2.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.54 -49.37 8.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mttt -91.8 31.11 1.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.32 170.6 47.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.55 141.34 74.23 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.32 3.346 . . . . 0.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -168.9 24.81 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.52 151.14 47.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 0.787 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 58.3 mt -108.11 119.11 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.37 134.0 34.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.99 -36.92 3.99 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 40' ' ' GLY . 82.9 t80 -38.2 159.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.977 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.87 -153.97 24.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.554 1.159 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.581 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 6.2 ttmt -60.35 -78.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -34.81 -36.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.67 -57.83 4.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.4 -52.1 48.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.44 -34.18 70.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.14 -136.04 0.47 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -85.36 41.08 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.424 ' O ' HMC1 ' A' ' 154' ' ' HEM . . . -111.92 -55.05 0.48 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 75.6 m -122.84 -85.99 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.592 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.7 OUTLIER -42.79 -48.24 5.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.48 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.485 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 13.7 t -54.39 -44.29 72.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.7 m170 -53.93 -71.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.643 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -56.13 -22.63 29.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 27.7 tt0 -68.81 -54.93 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 8.1 mmm -85.21 -8.08 58.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.998 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 72.95 14.39 4.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -120.84 145.42 47.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 63' ' ' THR . . . 97.71 167.62 32.25 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.432 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 45.0 Cg_endo -68.45 123.4 10.48 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.32 3.347 . . . . 0.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.521 HG22 ' HB3' ' A' ' 55' ' ' HIS . 69.2 p -123.44 -7.93 8.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -96.51 156.95 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.03 158.1 36.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 108.307 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.75 -34.91 3.59 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -72.49 -19.12 61.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 0.748 . . . . 0.0 110.281 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.3 -49.14 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 108.315 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -87.16 104.29 16.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.579 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -116.15 116.75 28.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 mttp . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.411 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.485 HMC2 ' HB2' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.592 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -37.36 -45.68 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.79 116.52 4.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.6 mt -132.35 128.89 59.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.91 121.01 51.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 33.7 mt -99.24 98.5 9.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.34 132.77 24.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.723 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -142.55 139.26 31.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -77.12 1.8 17.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -131.85 31.63 4.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.723 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.02 123.95 5.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -60.49 155.68 17.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.0 t -118.79 118.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 101.93 12.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.1 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 39.2 t80 -101.47 124.04 42.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.409 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 80.1 Cg_endo -86.29 93.75 0.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.316 3.344 . . . . 0.0 109.627 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.502 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.2 t-80 -79.71 50.96 1.22 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.607 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -141.22 -68.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -53.64 -22.17 8.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -80.75 3.56 21.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.62 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 25' ' ' PRO . 79.1 mt-30 -94.41 -54.44 3.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -29.98 69.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.48 -29.79 52.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 46.6 t -138.67 61.94 26.09 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.6 Cg_exo -40.65 -26.62 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.299 3.333 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.6 t70 -81.28 113.36 19.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.55 -14.39 52.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 108.314 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -77.03 -4.32 43.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 5.0 mmtt -68.51 -50.57 51.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.1 m -97.76 -53.48 3.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.3 m-70 -71.64 102.88 2.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.61 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.31 -49.61 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -91.43 30.59 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.93 173.38 49.35 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -55.98 141.03 86.85 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.308 3.339 . . . . 0.0 109.596 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.63 -171.01 23.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 150.21 48.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -107.03 119.55 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -84.58 133.01 34.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.35 -37.56 3.71 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.022 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 40' ' ' GLY . 73.0 t80 -38.44 160.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.769 . . . . 0.0 111.054 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 162.93 -154.85 25.96 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.3 OUTLIER -59.94 -78.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 109.284 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.98 -36.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -70.61 -57.78 4.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.23 -52.51 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.563 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.8 m170 -71.32 -33.96 70.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.586 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.69 -137.01 0.61 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.9 tttm -84.18 42.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -113.11 -54.99 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.559 1.162 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 76.1 m -121.97 -86.44 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.69 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 2.9 mtmp? -44.1 -49.8 8.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -30.98 -65.26 0.17 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.573 1.171 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.451 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 42.7 t -57.88 -48.0 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 58.7 m170 -48.16 -72.37 0.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.601 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.01 -21.57 4.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -61.08 -51.98 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mmm -100.53 3.89 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? 68.26 8.1 6.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.474 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.6 OUTLIER -105.75 147.18 28.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.87 165.95 37.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 110.958 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.0 Cg_endo -70.03 121.89 8.51 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.327 3.351 . . . . 0.0 109.596 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 ' HB3' ' A' ' 55' ' ' HIS . 43.7 p -121.53 -8.83 9.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.446 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.95 157.4 15.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.21 158.64 36.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 108.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.67 -34.77 3.62 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.6 tt0 -72.71 -18.93 61.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.789 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.529 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.61 -48.86 2.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 108.3 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.89 102.67 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.586 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.36 116.42 31.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.1 tttp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.408 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 1.019 HBC2 HMC1 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.69 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.453 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.1 OUTLIER 75.77 -51.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.82 119.37 9.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.509 HD13 ' O1A' ' A' ' 130' ' ' HEM . 45.5 mt -130.31 129.03 64.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -95.72 121.5 46.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 48.0 mt -99.49 96.62 7.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 136.42 11.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -149.03 140.09 22.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.95 3.42 17.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -129.92 28.72 5.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.19 117.94 4.4 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -54.82 155.69 4.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.6 t -118.88 122.66 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.28 108.24 18.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.339 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -109.62 122.43 39.32 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 110.963 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.72 97.21 0.5 Allowed 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 62.7 t-80 -81.19 48.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.619 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' A' ' 2' ' ' ASP . 20.7 tttt -138.13 -68.17 0.46 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.23 -23.36 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -78.47 0.79 24.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.57 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 25' ' ' PRO . 65.6 mt-30 -95.41 -53.68 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -67.03 -26.62 66.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.15 -29.34 31.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 57.0 t -138.56 62.14 27.84 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' GLN . 64.1 Cg_exo -39.46 -27.97 0.18 Allowed 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.326 3.351 . . . . 0.0 109.639 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' VAL . 37.4 t70 -80.1 114.41 18.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 m -83.77 -14.22 52.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 108.318 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.433 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.3 mtmt -77.73 -4.05 44.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -68.32 -48.19 65.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -100.35 -54.04 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.86 110.81 5.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.89 -48.28 6.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.16 26.26 2.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.24 174.22 42.04 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.478 1.111 . . . . 0.0 111.031 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.09 143.25 96.84 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.362 3.375 . . . . 0.0 109.583 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 136.25 -164.49 25.07 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.021 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 152.06 44.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.0 mt -108.19 119.15 57.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.17 134.97 35.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 110.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.6 -36.79 3.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 40' ' ' GLY . 71.0 t80 -38.5 160.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 0.746 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 164.05 -154.69 25.69 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.506 1.129 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.6 tttt -60.16 -78.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.62 -36.54 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.296 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.32 -57.81 4.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.06 -52.55 42.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.78 -34.51 71.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.78 -137.13 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 42.38 0.88 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 0.778 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.42 ' O ' HMC1 ' A' ' 154' ' ' HEM . . . -113.34 -53.98 0.45 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.408 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 75.6 m -123.33 -85.09 0.65 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.681 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 4.1 mtmp? -45.04 -50.88 10.56 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.95 -64.18 0.15 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 45.2 t -58.97 -49.68 76.94 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' LYS . 49.5 m170 -46.36 -71.25 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.618 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -53.9 -20.96 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.298 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 2.6 tp10 -60.58 -52.17 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 mmm -101.37 4.65 41.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.34 7.63 6.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.2 mmtt -104.45 147.58 27.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.53 163.91 37.87 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.419 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 39.3 Cg_endo -66.32 122.65 10.17 Favored 'Trans proline' 0 N--CA 1.448 -1.181 0 C-N-CA 124.327 3.351 . . . . 0.0 109.572 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.459 HG23 ' O ' ' A' ' 61' ' ' GLY . 59.0 p -122.48 -8.43 8.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.388 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.0 mmtt -97.28 156.71 16.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.68 157.46 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 108.298 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.23 -34.48 3.79 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.489 1.118 . . . . 0.0 110.953 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.4 tt0 -72.76 -18.96 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 110.315 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.67 -48.8 2.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 108.287 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -87.64 105.13 17.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.569 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -116.41 116.38 27.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.509 ' O1A' HD13 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.627 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.681 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.435 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -96.97 -37.95 9.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 116.72 11.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.498 HD13 ' O2A' ' A' ' 130' ' ' HEM . 16.4 mt -129.48 127.75 65.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.0 t -99.75 121.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.476 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 27.0 mt -100.07 100.78 11.7 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' O ' ' CGD' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -54.64 135.27 46.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.625 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -143.3 145.81 33.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.78 7.09 13.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.466 HD21 ' CD2' ' A' ' 69' ' ' HIS . 10.4 p-10 -138.23 31.86 2.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.625 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.61 123.04 5.2 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 110.947 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -60.65 157.3 14.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.3 t -118.35 123.21 71.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.16 104.86 17.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.117 . . . . 0.0 109.285 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.414 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.0 t80 -105.92 123.65 38.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.414 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 82.4 Cg_endo -87.23 94.15 0.48 Allowed 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.325 3.35 . . . . 0.0 109.571 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.479 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.6 t-80 -79.33 50.53 1.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 109.568 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.6 tttt -140.9 -68.12 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.26 -22.17 11.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -79.66 1.87 24.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.601 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 18' ' ' LYS . 57.5 mt-30 -96.05 -53.85 3.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.58 -26.35 67.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.37 -29.95 30.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.5 t -137.56 62.23 34.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' GLN . 63.1 Cg_exo -39.49 -27.89 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.321 3.347 . . . . 0.0 109.579 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' VAL . 28.8 t70 -80.59 113.37 18.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.9 m -82.78 -14.15 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 108.27 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 3.8 mtmm -77.38 -3.94 42.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 -49.54 61.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.21 -53.82 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 108.3 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 96.1 m-70 -70.01 108.18 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.59 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.56 -55.39 3.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.364 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.07 0.64 27.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.47 169.83 18.0 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.37 139.01 29.55 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.296 3.331 . . . . 0.0 109.579 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.79 -164.46 25.47 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.501 1.126 . . . . 0.0 111.027 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.58 147.89 47.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.746 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.4 mt -104.0 119.06 52.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 133.84 35.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 102.94 -38.44 3.21 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 40' ' ' GLY . 56.9 t80 -34.26 151.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 0.771 . . . . 0.0 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.22 -162.52 32.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.6 OUTLIER -56.75 -78.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.45 0.735 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.454 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.63 -36.98 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.355 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.437 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.16 -56.85 5.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.0 -52.68 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.8 m170 -70.15 -34.58 73.19 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 109.582 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.57 -132.88 0.22 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -86.93 38.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.77 -54.49 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.4 m -123.36 -86.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.604 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 3.9 mtmp? -41.6 -48.66 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -67.28 0.2 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.444 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 13.9 t -55.69 -44.16 77.09 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 47.7 m170 -53.86 -71.75 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.58 -21.56 10.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.431 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 2.8 mm-40 -62.5 -51.88 65.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mmm -98.64 0.56 45.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 111.053 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 70.93 7.29 6.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -105.61 148.17 27.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.35 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 63' ' ' THR . . . 91.85 164.77 38.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 39.3 Cg_endo -66.41 123.37 11.05 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.272 3.315 . . . . 0.0 109.627 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.452 HG23 ' O ' ' A' ' 61' ' ' GLY . 64.3 p -122.93 -8.46 8.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.403 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -97.21 156.51 16.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.4 157.99 35.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 108.33 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.7 -34.56 3.67 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.107 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.9 tt0 -72.4 -18.07 61.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.287 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.53 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -113.8 -49.69 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 108.296 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.568 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -86.84 100.47 12.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.601 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 116.2 27.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.498 ' O2A' HD13 ' A' ' 4' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.492 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.604 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -38.84 -36.74 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.89 118.26 12.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -132.01 128.59 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.247 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.9 t -100.32 121.05 50.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 51.3 mt -97.76 94.7 7.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.43 137.78 14.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -150.22 136.24 18.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 7.1 pttt -72.15 -4.37 28.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -121.71 28.02 7.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.684 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.02 124.33 5.41 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -60.82 156.61 16.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 0.79 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.3 t -120.99 119.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -83.89 108.75 17.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -110.2 118.28 49.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -83.11 96.33 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.325 3.35 . . . . 0.0 109.589 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 62.3 t-80 -79.27 49.79 1.01 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.585 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.428 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -140.32 -66.79 0.44 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.42 -24.03 18.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 109.277 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -80.16 2.4 24.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.607 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' LYS . 83.5 mt-30 -96.59 -53.79 3.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 110.325 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -67.9 -24.62 65.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.87 -30.33 26.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.9 t -138.28 63.87 37.17 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 74.1 Cg_exo -41.72 -26.19 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.287 3.324 . . . . 0.0 109.609 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 62.1 t0 -78.58 112.15 15.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.97 -17.19 41.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 108.27 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 2.5 mttp -75.43 -6.14 48.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.92 -53.3 33.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -94.2 -52.6 4.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.125 . . . . 0.0 108.293 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.4 m-70 -72.94 100.46 2.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.598 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.92 -50.43 10.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -91.71 31.09 1.24 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 83.07 172.2 48.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -52.39 141.62 50.21 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.34 . . . . 0.0 109.555 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.07 -178.59 19.09 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.454 ' HA ' ' CGD' ' A' ' 130' ' ' HEM . 0.1 OUTLIER -59.76 148.17 35.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 0.747 . . . . 0.0 109.33 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.4 mt -105.15 118.6 52.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.139 . . . . 0.0 109.367 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -85.06 129.1 34.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.21 -40.44 2.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.569 1.168 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 68.0 t80 -33.83 150.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.62 -160.52 29.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.533 1.146 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 4.1 tttt -57.76 -77.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.35 -37.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.461 ' SD ' ' CA ' ' A' ' 50' ' ' GLY . 0.0 OUTLIER -70.16 -57.39 4.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.39 -51.8 51.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.507 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 29.6 m170 -71.24 -34.25 70.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.45 -133.28 0.28 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.06 38.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 0.766 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.461 ' CA ' ' SD ' ' A' ' 45' ' ' MET . . . -108.58 -53.23 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.41 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 78.0 m -125.59 -85.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.527 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.7 OUTLIER -42.5 -49.28 5.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.42 -66.85 0.19 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.519 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 9.0 t -55.89 -45.13 78.69 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.493 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 45.8 m170 -53.23 -71.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -54.18 -21.97 10.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.098 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 2.9 mm-40 -64.53 -52.88 55.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 mmm -95.1 -3.28 48.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 55' ' ' HIS . 0.8 OUTLIER 72.43 9.96 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.493 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.4 mmpt? -109.3 147.28 32.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.05 165.26 38.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.426 1.079 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.416 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.3 Cg_endo -65.61 121.76 9.23 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.317 3.345 . . . . 0.0 109.621 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 61' ' ' GLY . 69.0 p -121.1 -9.28 9.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.397 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -97.48 157.0 16.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.37 159.2 33.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.6 -34.78 3.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 0.0 111.009 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -72.62 -20.25 61.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.762 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.529 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -111.48 -48.38 3.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 108.313 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.561 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.32 101.16 13.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.613 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.98 116.04 29.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.1 tttm . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.462 ' CGD' ' HHA' ' A' ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.519 HMC2 ' HB2' ' A' ' 54' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.563 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -40.58 -33.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.84 115.77 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.7 mt -128.7 128.13 67.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.54 120.41 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.1 mt -97.25 95.97 8.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.03 135.08 25.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.95 137.64 23.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 pttt -74.19 -1.98 22.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -124.32 28.19 6.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.67 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.74 123.75 5.29 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -60.78 156.25 17.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.4 t -121.34 117.77 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' H ' ' NZ ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -85.21 106.89 16.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.427 1.079 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.405 ' CD1' ' HD2' ' A' ' 16' ' ' PRO . 35.8 t80 -106.38 123.51 38.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.405 ' HD2' ' CD1' ' A' ' 15' ' ' PHE . 98.6 Cg_endo -86.28 95.66 0.54 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.256 3.304 . . . . 0.0 109.577 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.487 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.7 t-80 -80.53 47.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.603 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 19' ' ' ALA . 0.0 OUTLIER -139.04 -67.13 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' N ' ' HG3' ' A' ' 18' ' ' LYS . . . -54.28 -23.59 15.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.03 1.43 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.604 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.442 ' O ' ' N ' ' A' ' 25' ' ' PRO . 70.7 mt-30 -95.19 -53.89 3.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -66.7 -26.5 67.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.48 -29.6 30.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.445 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.8 t -138.05 62.43 32.67 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.445 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 67.7 Cg_exo -40.15 -27.24 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.354 3.369 . . . . 0.0 109.583 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 23.7 t70 -80.44 113.6 18.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.06 -13.41 53.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 34.2 mttt -78.63 -3.16 42.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.1 mmtm -69.28 -49.78 52.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.9 m -97.97 -53.58 3.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 108.323 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.5 m-70 -71.3 108.24 4.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -88.1 -48.91 7.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -92.43 28.94 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.3 169.8 44.5 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.05 139.6 80.02 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.313 3.342 . . . . 0.0 109.59 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.28 -174.34 23.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.492 1.12 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.96 148.06 48.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.3 mt -104.81 118.73 52.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -83.66 131.28 34.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.261 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 106.17 -39.56 2.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' C ' ' O ' ' A' ' 40' ' ' GLY . 55.6 t80 -33.54 150.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 0.76 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.17 -159.91 27.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 1.9 tttt -57.91 -77.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.86 -36.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.62 -56.91 5.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.1 -51.84 55.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 25.3 m170 -71.12 -34.06 70.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.59 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.08 -133.47 0.26 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -87.0 38.68 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -108.46 -55.19 0.59 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 110.96 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 76.9 m -123.97 -85.04 0.65 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.777 ' HD3' HMC3 ' A' ' 168' ' ' HEM . 0.5 OUTLIER -42.05 -48.46 4.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.25 -69.6 0.15 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.448 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 15.9 t -53.8 -44.68 70.37 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.53 ' HB3' HG22 ' A' ' 63' ' ' THR . 42.6 m170 -53.63 -71.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.616 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.5 OUTLIER -55.93 -23.36 31.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.299 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.4 tt0 -67.89 -54.22 20.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 mmm -87.17 -3.99 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.44 15.26 9.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 5.8 mmtp -119.76 145.84 46.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 63' ' ' THR . . . 96.06 166.69 34.32 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.47 1.106 . . . . 0.0 111.032 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.41 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 55.6 Cg_endo -68.39 123.09 10.16 Favored 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.36 3.374 . . . . 0.0 109.588 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 55' ' ' HIS . 69.8 p -122.65 -9.62 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.427 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.68 157.25 16.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.82 158.59 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.78 -35.18 3.55 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.5 tt0 -72.83 -20.7 61.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 0.754 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.523 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -110.65 -47.76 3.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 108.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.565 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -89.23 98.42 11.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.567 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.496 ' NZ ' ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -117.43 118.11 31.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.434 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.509 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.777 HMC3 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.474 ' C ' ' CG ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER 70.92 -54.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.21 121.25 7.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 94.3 mt -132.32 129.37 59.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -98.67 121.1 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 27.1 mt -97.92 99.95 11.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.499 ' O ' ' CGD' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -51.71 132.51 31.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -141.9 142.39 33.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 1.167 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.6 6.84 13.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.447 ' ND2' ' C4A' ' A' ' 168' ' ' HEM . 8.9 p-10 -138.04 32.59 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.654 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.29 122.15 5.04 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.71 156.68 16.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -119.95 124.23 72.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -89.0 111.38 22.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -112.6 118.23 45.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.944 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.29 96.14 0.8 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.283 3.322 . . . . 0.0 109.65 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 62.9 t-80 -79.14 48.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.607 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 21' ' ' GLN . 10.3 tptt -138.08 -68.22 0.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.16 13.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -79.49 2.04 23.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.564 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' LYS . 68.4 mt-30 -96.34 -54.14 3.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.344 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.8 mmtt -68.06 -25.21 65.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.253 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -83.11 -28.47 29.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.433 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 60.1 t -140.5 63.79 22.39 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.433 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 70.5 Cg_exo -41.3 -26.51 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.252 3.301 . . . . 0.0 109.605 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 63.9 t0 -78.82 114.45 17.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -86.18 -16.8 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 108.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 11.0 mttt -76.18 -5.35 46.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.36 -52.81 35.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -94.76 -53.29 3.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 108.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.2 m-70 -71.67 105.24 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.646 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -49.71 7.86 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.542 1.151 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.1 mttt -91.97 27.3 2.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.52 172.46 46.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -52.11 141.97 46.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.369 3.38 . . . . 0.0 109.576 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.9 -176.9 19.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.529 1.143 . . . . 0.0 111.008 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -60.39 151.2 28.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.8 mt -107.68 119.2 56.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -82.42 133.76 35.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 103.11 -37.68 3.6 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 40' ' ' GLY . 83.9 t80 -38.62 160.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.746 . . . . 0.0 111.051 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.38 -154.51 25.46 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.565 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.3 tttt -60.1 -78.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.46 -36.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.9 tpt -70.74 -57.98 4.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.31 -51.96 49.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.565 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.4 m170 -71.71 -34.37 69.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 109.575 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.03 -138.24 0.75 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.05 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.9 mttm -83.71 43.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.0 -56.47 0.37 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.402 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 76.6 m -121.0 -84.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.691 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 2.5 mtmp? -45.11 -48.73 12.06 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.07 -66.67 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.443 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.6 t -56.18 -44.79 79.72 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.531 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.0 m170 -52.39 -72.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.591 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.99 -21.67 12.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 3.3 mm-40 -63.14 -52.38 62.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.3 mmm -96.58 0.22 49.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 111.022 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.3 8.37 6.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.488 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.7 OUTLIER -107.91 147.82 30.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 63' ' ' THR . . . 92.13 165.04 38.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.096 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.425 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 44.2 Cg_endo -67.5 122.06 9.23 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.297 3.332 . . . . 0.0 109.624 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.531 HG22 ' HB3' ' A' ' 55' ' ' HIS . 44.5 p -122.02 -8.43 8.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mttm -96.15 156.85 16.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.17 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.17 157.89 36.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 108.32 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.15 -34.78 3.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.6 tt0 -72.95 -19.62 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 110.274 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.533 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.78 -48.67 3.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 108.286 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.565 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.14 102.31 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.586 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -115.17 116.81 28.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.9 mttm . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.437 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 1.005 HBC2 HMC1 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.691 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.433 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -56.7 -33.66 66.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.2 116.65 13.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.1 mt -129.07 127.46 65.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.7 t -101.38 120.26 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.505 ' CB ' ' O2D' ' A' ' 168' ' ' HEM . 21.7 mt -97.85 110.62 23.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 135.85 57.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.954 ' HB2' ' CGD' ' A' ' 168' ' ' HEM . . . -146.58 139.72 25.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -75.24 -0.99 21.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -125.94 29.3 5.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.265 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.662 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 103.35 125.41 5.63 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.444 1.09 . . . . 0.0 111.023 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -60.38 157.37 13.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 0.772 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.459 HG23 ' O1D' ' A' ' 168' ' ' HEM . 58.2 t -120.65 125.91 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.08 109.6 20.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 109.334 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -111.46 119.01 46.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -82.85 95.49 0.84 Allowed 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.326 3.351 . . . . 0.0 109.592 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.12 48.94 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.5 ttpp -139.59 -66.92 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.15 -23.82 15.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -79.59 2.38 22.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.574 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' LYS . 85.3 mt-30 -95.97 -53.67 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -67.55 -26.18 66.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.67 -29.07 30.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.6 t -139.52 65.13 32.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 79.0 Cg_exo -43.3 -25.07 0.64 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.316 3.344 . . . . 0.0 109.578 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.0 t0 -80.14 112.25 17.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.38 -16.17 43.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 108.293 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.9 mtmm -76.17 -5.77 48.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.24 -53.29 31.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.0 m -93.92 -52.81 4.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 108.292 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.449 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 93.6 m-70 -73.2 101.62 3.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.631 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.55 -50.2 9.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -91.89 31.27 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.44 172.9 49.37 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -53.53 142.16 60.44 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.301 3.334 . . . . 0.0 109.58 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.89 -172.83 22.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.3 152.01 44.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.6 mt -108.45 118.26 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -81.76 133.33 35.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 104.02 -37.81 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 67.4 t80 -39.5 162.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 0.761 . . . . 0.0 110.977 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 160.54 -152.56 23.31 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.515 1.135 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 5.1 tttt -60.98 -78.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.97 -35.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' LYS . 2.0 tpt -70.98 -58.21 3.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.07 -51.54 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.569 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m170 -72.16 -34.5 68.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -76.37 -137.46 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.123 . . . . 0.0 111.01 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 pttm -84.06 44.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 0.776 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -115.6 -57.25 0.34 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 75.8 m -120.87 -83.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.726 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 2.2 mtmt -45.24 -47.25 12.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -34.72 -69.4 0.2 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.013 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.464 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.7 t -53.66 -43.24 68.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.555 ' HB3' HG22 ' A' ' 63' ' ' THR . 47.3 m170 -54.11 -70.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.627 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.6 OUTLIER -59.05 -21.22 58.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 17.4 tt0 -66.54 -53.71 31.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.7 mmm -89.04 -5.59 57.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 73.07 12.31 5.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.518 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 23.3 mmtt -117.7 145.96 44.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.02 167.14 31.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.553 1.158 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.406 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 67.5 Cg_endo -71.54 122.74 8.87 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.297 3.331 . . . . 0.0 109.556 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.555 HG22 ' HB3' ' A' ' 55' ' ' HIS . 39.0 p -122.43 -8.94 8.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.374 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.13 156.88 17.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.29 159.15 35.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.37 -34.78 3.57 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.9 tt0 -72.73 -19.09 61.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 0.768 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.524 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.7 OUTLIER -112.44 -49.1 2.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 108.276 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.557 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.2 m-70 -87.3 101.3 13.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.571 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -119.59 115.82 24.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.449 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 1.0 HBC2 HMC1 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.954 ' CGD' ' HB2' ' A' ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -36.98 -50.69 0.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 119.62 5.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.3 mt -136.11 129.1 46.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 84.2 t -101.77 121.17 52.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 72.9 mt -99.51 91.73 5.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.5 138.91 5.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -146.64 139.54 25.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.6 -2.62 23.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.463 ' ND2' ' C4A' ' A' ' 168' ' ' HEM . 14.9 p-10 -130.18 34.78 4.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.907 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.5 128.58 6.41 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.2 156.94 32.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 49.0 t -119.6 119.08 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -83.64 109.73 17.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.117 . . . . 0.0 109.348 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 58.0 t80 -111.5 117.07 49.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -82.97 93.11 0.87 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.27 3.313 . . . . 0.0 109.629 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 56.4 t-80 -77.02 52.09 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.2 OUTLIER -140.33 -69.22 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.4 -21.55 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -81.51 4.71 20.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.602 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' PRO . 34.7 mt-30 -96.14 -55.09 3.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -27.86 67.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -32.05 53.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.478 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.1 t -137.54 61.01 28.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.9 Cg_exo -38.81 -27.62 0.12 Allowed 'Trans proline' 0 N--CA 1.446 -1.296 0 C-N-CA 124.343 3.362 . . . . 0.0 109.63 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 61.7 t0 -77.77 113.99 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -85.45 -18.29 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 108.264 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.469 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.3 OUTLIER -74.68 -5.51 43.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.269 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.44 -53.33 29.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.3 m -94.82 -53.09 3.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 108.307 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.1 m-70 -71.66 104.53 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.608 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.15 -49.36 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtmt -91.55 31.04 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.73 174.14 49.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.53 1.144 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -57.96 141.86 96.3 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.296 3.33 . . . . 0.0 109.58 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 137.51 -170.18 23.75 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 110.929 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.42 151.65 45.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.0 mt -108.34 119.24 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -83.36 132.16 35.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 105.14 -38.38 3.32 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.46 1.1 . . . . 0.0 110.973 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 42' ' ' GLY . 34.5 t80 -38.17 159.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 0.763 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . 163.77 -151.15 20.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 0.5 OUTLIER -62.4 -78.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 0.786 . . . . 0.0 109.272 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.8 -36.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.279 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.6 tpt -71.18 -57.48 4.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.7 -51.67 54.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 22.6 m170 -72.16 -34.14 68.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.608 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.9 -136.12 0.34 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -85.73 40.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 0.782 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -111.22 -56.14 0.49 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.0 m -121.73 -86.05 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.705 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 11.0 mtmt -42.67 -48.49 5.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.4 -68.44 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.13 . . . . 0.0 110.988 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 57' ' ' GLU . 38.7 t -55.22 -45.08 75.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.583 ' HB3' HG22 ' A' ' 63' ' ' THR . 45.5 m170 -52.33 -72.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.62 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -54.18 -22.63 11.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 54' ' ' CYS . 5.8 mm-40 -65.66 -54.19 30.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 mmm -90.65 -3.94 57.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.008 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.37 11.89 6.67 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 2.2 mtpm? -113.71 146.6 39.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.416 ' O ' HG23 ' A' ' 63' ' ' THR . . . 94.34 165.73 36.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.445 1.091 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.404 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 57.6 Cg_endo -68.98 121.96 8.83 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.38 3.387 . . . . 0.0 109.613 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.583 HG22 ' HB3' ' A' ' 55' ' ' HIS . 41.4 p -121.62 -9.64 8.9 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 0.0 110.377 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.43 156.97 16.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.1 158.23 36.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.28 -34.43 3.81 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.46 1.1 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.7 tt0 -73.94 -21.33 60.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 110.261 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.528 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -109.86 -46.97 3.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 108.361 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.572 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -90.57 98.46 11.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -114.93 122.94 47.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.326 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.415 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 1.009 HBC2 HMC1 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.705 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -155.47 -45.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.96 116.89 6.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.5 mt -130.2 128.69 64.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.8 t -99.21 119.82 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 30.1 mt -97.46 98.45 9.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.2 133.12 28.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -142.81 141.39 31.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 1.8 pttt -78.97 4.21 14.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -134.07 30.67 3.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.69 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.65 124.24 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.537 1.148 . . . . 0.0 110.975 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -60.93 156.35 17.73 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 0.728 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -119.45 119.71 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 105.6 16.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.443 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 51.7 t80 -107.1 118.99 52.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -83.15 94.93 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.315 3.343 . . . . 0.0 109.65 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.0 t-80 -78.67 50.39 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.619 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 21' ' ' GLN . 6.8 tptt -139.79 -68.73 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.44 -22.46 7.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -81.28 5.08 18.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.602 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 18' ' ' LYS . 74.2 mt-30 -95.93 -54.65 3.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.63 -28.28 67.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.65 -31.65 52.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.479 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 47.6 t -137.21 60.97 30.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.479 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 40.6 Cg_exo -38.84 -27.69 0.12 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.339 3.36 . . . . 0.0 109.594 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' VAL . 49.4 t0 -80.09 116.93 20.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -85.42 -17.69 35.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 108.283 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 1.4 mtpt -74.33 -4.15 34.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -68.13 -54.33 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.3 m -95.07 -53.55 3.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 108.301 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.9 m-70 -69.84 114.2 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.643 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -47.94 5.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -91.33 30.0 1.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.256 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 92.85 172.09 40.66 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.506 1.129 . . . . 0.0 110.969 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -66.16 134.06 35.26 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.35 . . . . 0.0 109.605 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 147.13 -161.08 28.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.133 . . . . 0.0 111.01 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.43 150.72 46.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.5 mt -108.25 119.35 57.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.07 132.22 34.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.23 -39.16 2.95 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.998 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' C ' ' O ' ' A' ' 40' ' ' GLY . 71.4 t80 -33.37 149.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.7 -160.05 27.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.574 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 2.2 tttt -57.9 -78.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.01 -37.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.05 -56.14 7.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.71 -52.92 54.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.574 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.0 -33.71 72.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.549 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.15 -132.42 0.18 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -88.11 36.54 0.78 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -106.0 -52.6 0.78 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 81.3 m -126.74 -85.37 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.573 ' HD3' HMC3 ' A' ' 168' ' ' HEM . 2.8 mtmt -40.93 -50.37 3.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -31.15 -70.23 0.09 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.428 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 49.6 t -54.34 -47.38 72.62 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.334 -0.988 . . . . 0.0 108.334 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 42.1 m170 -50.09 -70.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.579 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -57.1 -23.93 50.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.289 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 11.5 tt0 -69.09 -57.06 5.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.0 mmm -80.48 -10.21 59.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 73.17 16.61 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 1.8 mttt -124.3 144.39 50.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 63' ' ' THR . . . 99.79 166.72 29.44 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.424 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 42.9 Cg_endo -67.6 122.91 10.15 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.325 3.35 . . . . 0.0 109.59 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 55' ' ' HIS . 82.2 p -122.93 -8.06 8.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.89 156.64 16.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.251 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.27 157.4 37.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 108.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.46 -34.39 3.85 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.3 tt0 -72.62 -20.71 61.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.757 . . . . 0.0 110.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -110.75 -48.64 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.133 . . . . 0.0 108.319 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.563 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 96.9 m-70 -87.86 100.83 13.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.82 116.19 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.418 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.617 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.573 HMC3 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -168.47 -45.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 109.29 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.29 116.69 5.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 55.6 mt -132.58 129.1 58.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -100.23 121.7 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -100.32 100.9 11.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -51.74 136.71 27.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -148.74 139.54 22.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 0.1 OUTLIER -77.15 1.16 19.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.451 ' OD1' ' O ' ' A' ' 10' ' ' ASN . 20.1 t-20 -125.5 23.98 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 105.97 118.81 4.47 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -51.76 155.69 1.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 0.752 . . . . 0.0 109.262 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 58.2 t -118.64 123.24 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.1 102.99 15.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.434 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 50.8 t80 -102.75 122.89 44.33 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -87.08 92.96 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.302 3.335 . . . . 0.0 109.565 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.505 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 59.3 t-80 -79.06 50.32 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.623 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 19' ' ' ALA . 0.8 OUTLIER -140.17 -67.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 18' ' ' LYS . . . -54.61 -23.02 15.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -79.0 1.42 23.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.622 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 25' ' ' PRO . 75.7 mt-30 -95.23 -53.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -26.52 66.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.38 -29.07 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.44 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 51.2 t -138.79 62.92 30.12 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 69.7 Cg_exo -40.5 -27.06 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.282 3.321 . . . . 0.0 109.651 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.408 ' N ' ' C ' ' A' ' 24' ' ' VAL . 25.0 t0 -81.17 114.62 20.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.318 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.5 m -84.08 -14.31 50.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.292 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 2.5 mtmp? -77.09 -3.76 40.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.39 -50.17 54.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.0 m -98.59 -53.69 3.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.297 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 95.6 m-70 -70.1 110.19 5.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.586 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -92.7 -48.6 6.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -92.53 28.65 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 89.61 176.84 45.64 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.534 1.147 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -61.16 139.87 86.13 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.337 3.358 . . . . 0.0 109.6 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.59 -173.4 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.556 1.16 . . . . 0.0 111.015 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.52 147.28 45.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 0.776 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.4 mt -104.19 119.77 53.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -82.87 133.84 35.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.308 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 102.91 -37.05 3.9 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 40' ' ' GLY . 58.5 t80 -38.42 160.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.14 -155.35 26.66 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HE3' ' C2A' ' A' ' 168' ' ' HEM . 0.0 OUTLIER -60.27 -78.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 0.757 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.1 OUTLIER -35.25 -36.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 110.263 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.5 tpt -70.35 -57.65 4.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.78 -52.68 47.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.2 m170 -70.8 -33.66 70.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.595 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -75.25 -134.48 0.4 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.25 39.99 0.85 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.99 -54.33 0.53 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.408 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 76.6 m -122.95 -86.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.601 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 5.4 mtmt -42.18 -48.4 4.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.28 -67.57 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.463 ' HB2' HMC2 ' A' ' 154' ' ' HEM . 13.1 t -55.48 -43.83 75.91 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' HA ' ' O ' ' A' ' 60' ' ' LYS . 46.4 m170 -54.18 -72.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 109.553 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -54.34 -21.85 10.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 54' ' ' CYS . 3.9 mm-40 -64.06 -52.06 61.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 110.335 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mmm -96.17 -1.69 47.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.4 9.4 6.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -109.35 147.45 32.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' O ' HG23 ' A' ' 63' ' ' THR . . . 93.4 165.41 37.6 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.423 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 37.7 Cg_endo -66.31 123.43 11.17 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.266 3.311 . . . . 0.0 109.594 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 61' ' ' GLY . 71.4 p -122.42 -8.67 8.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.359 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.65 157.85 15.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.15 158.44 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.287 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.45 -35.65 3.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.941 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.7 tt0 -71.83 -19.73 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 0.767 . . . . 0.0 110.342 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.515 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -111.78 -49.61 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 108.29 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.548 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -86.49 106.5 17.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -106.75 115.3 29.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.3 ttmt . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.413 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.473 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.601 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 17' ' ' HIS . 0.0 OUTLIER -165.47 -41.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.33 117.76 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.416 HD13 ' O2A' ' A' ' 130' ' ' HEM . 8.9 mt -130.61 128.55 63.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.3 t -97.48 119.63 45.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.6 mt -95.75 113.94 25.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.257 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 132.28 48.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -148.16 135.39 20.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 1.0 OUTLIER -70.32 -6.32 34.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.63 25.43 11.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.501 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 102.01 125.53 5.64 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -56.89 156.94 6.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 109.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.24 130.23 74.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 14' ' ' LYS . 3.3 tmtt? -92.13 113.64 25.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.302 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -115.28 122.56 32.99 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -86.84 92.73 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.354 3.369 . . . . 0.0 109.582 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 61.4 t-80 -77.61 51.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.108 . . . . 0.0 109.62 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.0 OUTLIER -141.78 -68.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.92 -24.91 17.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 49.1 m80 -76.02 -1.63 26.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.552 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 25' ' ' PRO . 78.3 mt-30 -93.66 -52.28 4.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -66.95 -26.97 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.348 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -82.86 -28.67 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.1 t -139.33 62.73 26.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' N ' ' O ' ' A' ' 21' ' ' GLN . 71.1 Cg_exo -40.6 -27.14 0.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.274 3.316 . . . . 0.0 109.628 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 25.0 t70 -79.58 114.12 18.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.7 m -83.82 -15.21 49.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 108.327 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 7.5 mtmt -77.04 -3.81 41.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.457 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.0 OUTLIER -68.14 -52.0 39.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 m -96.68 -54.0 3.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 108.272 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.6 m-70 -69.74 114.68 8.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.659 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.46 -48.05 4.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -91.56 30.01 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.327 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.405 ' O ' ' HB3' ' A' ' 31' ' ' HIS . . . 94.44 172.02 38.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -67.61 138.37 45.34 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.278 3.318 . . . . 0.0 109.613 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 142.35 -161.98 27.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.485 1.115 . . . . 0.0 110.961 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.59 152.54 45.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.09 118.76 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 109.262 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.78 128.58 34.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.456 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 109.49 -41.16 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' CE2' ' O2D' ' A' ' 168' ' ' HEM . 82.0 t80 -33.11 149.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 0.751 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.65 -162.94 32.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HE2' ' C3A' ' A' ' 168' ' ' HEM . 2.8 tttt -52.18 -77.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 0.749 . . . . 0.0 109.306 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.66 -38.54 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -54.42 10.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.22 -53.17 37.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.477 ' HE1' ' C4A' ' A' ' 168' ' ' HEM . 26.7 m170 -72.51 -35.48 68.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.572 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -69.32 -137.15 0.09 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.428 1.08 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.03 39.99 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 0.747 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -109.49 -52.05 0.64 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.42 ' HA ' ' CHC' ' A' ' 154' ' ' HEM . 79.3 m -125.26 -87.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.682 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.2 OUTLIER -42.52 -51.73 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.499 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -29.64 -63.91 0.14 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 57' ' ' GLU . 34.5 t -59.02 -50.27 74.73 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 52' ' ' LYS . 50.0 m170 -46.32 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -54.78 -20.67 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 54' ' ' CYS . 3.2 tp10 -60.54 -52.72 63.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 mmm -100.48 2.85 42.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.08 4.71 5.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 7.8 mttt -101.33 155.37 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.429 ' O ' HG23 ' A' ' 63' ' ' THR . . . 86.89 162.44 37.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.413 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 50.1 Cg_endo -67.33 122.3 9.54 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.275 3.316 . . . . 0.0 109.59 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.468 ' HA ' ' CD ' ' A' ' 52' ' ' LYS . 59.7 p -121.05 -9.62 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.421 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.17 157.0 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.49 158.43 36.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.96 -34.48 3.74 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.4 tt0 -73.29 -19.99 60.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.74 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.519 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -111.49 -48.32 3.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 108.301 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.3 m-70 -88.03 110.8 20.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.596 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -129.96 116.87 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.9 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.495 ' HHA' ' CGA' ' A' ' 130' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.547 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.682 HMC2 ' HD3' ' A' ' 52' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.435 ' C ' ' N ' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.434 ' HB3' ' C ' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -41.11 -30.31 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.435 ' N ' ' C ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -76.16 116.47 16.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mt -128.18 128.45 68.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.27 120.19 48.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.346 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.459 ' HB3' ' CGD' ' A' ' 168' ' ' HEM . 27.9 mt -96.65 98.59 10.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.76 134.9 36.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 11' ' ' GLY . . . -147.44 139.14 24.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.78 1.13 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -126.68 27.29 6.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.561 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 104.54 122.19 5.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.41 157.21 9.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.753 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -121.54 119.94 60.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -85.95 108.96 18.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' C2B' ' A' ' 154' ' ' HEM . 55.3 t80 -110.0 122.52 38.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -86.32 95.89 0.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.264 3.309 . . . . 0.0 109.595 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.498 ' ND1' ' O ' ' A' ' 17' ' ' HIS . 60.5 t-80 -79.97 47.47 0.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 21' ' ' GLN . 2.7 tttm -138.21 -67.6 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.91 -22.8 10.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -80.9 3.94 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.103 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' PRO . 80.7 mt-30 -95.43 -54.73 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -29.18 68.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.095 . . . . 0.0 109.228 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.8 -30.4 51.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.265 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.48 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 61.4 t -138.26 61.49 26.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.48 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 44.1 Cg_exo -39.78 -27.18 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.317 3.344 . . . . 0.0 109.631 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 28' ' ' LYS . 60.7 t0 -79.36 113.24 17.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -84.24 -14.98 48.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.083 . . . . 0.0 108.286 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 3.2 mttt -77.65 -4.1 44.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -68.93 -50.9 45.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.581 1.175 . . . . 0.0 109.238 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.4 m -96.54 -53.32 3.62 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 108.258 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.431 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 94.3 m-70 -72.12 105.66 4.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.48 -49.51 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.14 30.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.63 169.15 45.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -52.67 141.2 54.27 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.323 3.349 . . . . 0.0 109.61 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 139.52 -179.66 18.53 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 151.64 19.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 0.732 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -107.95 118.59 55.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -83.3 132.11 35.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . 105.41 -39.54 2.81 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 40' ' ' GLY . 75.9 t80 -33.69 150.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 0.754 . . . . 0.0 111.001 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 176.29 -159.27 26.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.57 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 3.9 tttt -58.29 -77.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -35.1 -36.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.311 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.429 ' N ' ' O ' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.38 -56.66 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.24 -52.15 54.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 24.5 m170 -70.81 -34.21 71.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.561 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -73.23 -133.52 0.21 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -87.5 37.77 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 0.769 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -107.2 -53.36 0.69 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 79.5 m -126.03 -85.04 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' HD3' HMC2 ' A' ' 168' ' ' HEM . 0.3 OUTLIER -41.72 -49.6 4.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -32.15 -69.84 0.12 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 38.6 t -54.13 -45.69 72.02 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.515 ' HB2' ' HA ' ' A' ' 52' ' ' LYS . 41.4 m170 -51.94 -70.76 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.621 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.74 -22.98 49.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.328 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 18.1 tt0 -68.1 -55.19 13.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.4 mmm -84.56 -8.66 58.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 73.29 15.28 4.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.6 mmpt? -121.42 145.15 48.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' O ' HG23 ' A' ' 63' ' ' THR . . . 97.9 165.74 31.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.453 1.096 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 43.3 Cg_endo -67.05 122.94 10.33 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.302 3.335 . . . . 0.0 109.611 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.496 HG22 ' HB3' ' A' ' 55' ' ' HIS . 58.6 p -123.0 -8.33 8.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.411 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.33 155.7 16.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.43 157.74 36.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 108.305 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.29 -34.61 3.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 4.5 tt0 -72.74 -20.72 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 110.314 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.526 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.5 OUTLIER -110.68 -48.37 3.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.26 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.0 m-70 -88.22 101.03 13.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.629 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.3 mmtt -101.64 114.99 29.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.6 tptt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.431 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.62 ' CMC' HBC2 ' A' ' 154' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.563 ' C2A' ' HE3' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -35.9 -37.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.122 . . . . 0.0 109.291 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 1' ' ' ALA . 0.1 OUTLIER -67.66 119.42 12.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.0 mt -133.66 128.64 54.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 89.7 t -101.42 124.58 55.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.9 mt -102.27 100.6 10.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 141.14 18.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -151.66 143.67 23.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.457 ' HG2' ' CGA' ' A' ' 168' ' ' HEM . 12.4 pttt -81.08 5.77 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -133.47 29.07 3.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.242 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.83 115.73 4.09 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.543 1.152 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -52.71 155.89 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.2 t -117.13 128.71 74.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.333 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.92 108.92 20.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.909 ' CD2' HBB2 ' A' ' 154' ' ' HEM . 13.2 t80 -108.73 120.62 45.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -84.75 96.68 0.67 Allowed 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 124.358 3.372 . . . . 0.0 109.625 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ASP . 66.1 t-80 -80.63 49.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 109.586 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 0.1 OUTLIER -140.47 -68.15 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.34 -23.99 17.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.258 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -78.77 0.89 25.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.631 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' PRO . 71.3 mt-30 -95.65 -54.82 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.74 -24.73 66.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.455 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.24 -28.8 27.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.441 ' N ' ' HD3' ' A' ' 25' ' ' PRO . 58.0 t -139.16 62.37 25.26 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 24' ' ' VAL . 68.3 Cg_exo -40.12 -27.45 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.333 3.355 . . . . 0.0 109.607 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 29' ' ' LYS . 22.8 t70 -79.79 111.22 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -81.57 -13.33 58.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' HIS . 8.2 mttt -78.1 -4.16 45.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' N ' ' OD1' ' A' ' 26' ' ' ASP . 0.6 OUTLIER -68.31 -49.81 57.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.4 m -98.33 -52.98 3.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 108.336 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.434 ' CE1' ' ND ' ' A' ' 130' ' ' HEM . 93.6 m-70 -72.53 100.07 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.652 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.73 -49.92 9.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.1 mtmm -91.35 31.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.27 169.35 45.87 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -51.06 142.86 33.48 Favored 'Trans proline' 0 N--CA 1.448 -1.183 0 C-N-CA 124.271 3.314 . . . . 0.0 109.607 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.5 -165.04 25.61 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.84 152.35 41.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 0.727 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.6 mt -107.36 119.25 56.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -83.8 135.75 34.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 110.258 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 41' ' ' PHE . . . 101.0 -36.25 4.32 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 40' ' ' GLY . 69.5 t80 -38.47 160.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 163.82 -156.07 27.74 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 47' ' ' HIS . 4.2 tttt -60.29 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 0.731 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 48' ' ' GLY . 0.0 OUTLIER -34.68 -36.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' LYS . 1.8 tpt -69.89 -57.19 5.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.07 -52.62 49.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 43' ' ' LYS . 23.9 m170 -70.17 -34.02 72.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.581 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 44' ' ' GLU . . . -74.97 -134.28 0.36 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.56 1.163 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.4 mtpt -86.98 39.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -110.24 -52.79 0.59 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 77.3 m -124.76 -86.67 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HA ' ' HB2' ' A' ' 55' ' ' HIS . 3.3 mtmp? -41.46 -49.18 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 109.287 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 52' ' ' LYS . . . -33.01 -69.38 0.15 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 0.0 110.985 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.472 ' O ' ' HB3' ' A' ' 57' ' ' GLU . 25.3 t -54.07 -43.66 70.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.52 ' HB3' HG22 ' A' ' 63' ' ' THR . 43.8 m170 -54.26 -70.42 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.582 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.472 ' HB3' ' O ' ' A' ' 54' ' ' CYS . 14.1 tt0 -66.63 -52.73 41.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.3 mmm -91.44 -1.08 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.97 12.67 8.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 55' ' ' HIS . 9.5 mmtt -116.24 146.72 42.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' O ' HG23 ' A' ' 63' ' ' THR . . . 95.45 166.78 35.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.421 ' HB3' ' CD ' ' A' ' 67' ' ' GLU . 47.0 Cg_endo -68.37 123.79 10.94 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.52 HG22 ' HB3' ' A' ' 55' ' ' HIS . 71.6 p -123.8 -7.12 7.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.56 156.29 16.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.91 157.97 36.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 108.276 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.94 -34.57 3.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' CD ' ' HB3' ' A' ' 62' ' ' PRO . 3.7 tt0 -72.62 -19.17 61.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 0.785 . . . . 0.0 110.285 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.518 ' HB2' ' C2C' ' A' ' 168' ' ' HEM . 0.6 OUTLIER -112.59 -48.69 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 108.255 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CE1' ' ND ' ' A' ' 168' ' ' HEM . 97.1 m-70 -87.78 102.63 14.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.561 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -109.56 116.55 31.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.0 ptpp? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 -179.991 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HEM . . . . . 0.434 ' ND ' ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' HEM . . . . . 0.909 HBB2 ' CD2' ' A' ' 15' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' HEM . . . . . 0.568 ' C3A' ' HE2' ' A' ' 43' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_