data_1rl5_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 1rl5 _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 ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.482 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.4 OUTLIER -121.06 143.56 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.5 m -136.64 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.53 155.26 38.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -96.2 -167.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.416 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.27 -48.27 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -97.27 109.68 50.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.2 Cg_exo -60.16 10.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.17 3.104 . . . . 0.0 120.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 tp -94.93 -5.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.23 137.68 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 23.3 p90 -126.23 156.76 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.07 -174.35 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.41 145.16 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 83.2 m -74.19 130.15 83.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 16.3 Cg_endo -47.66 165.22 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.62 137.52 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 -22.4 16.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -114.56 108.58 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.81 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -111.23 -3.8 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt -100.44 151.76 21.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.1 m -105.41 144.28 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 7.8 p90 -135.46 153.08 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 127.05 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 26.7 mtp -112.1 145.57 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.1 m-85 -134.3 132.08 39.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.529 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 60.7 mtp -76.56 157.71 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.22 -33.26 75.1 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -96.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -75.42 76.36 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 26' ' ' MET . 25.7 mt -73.68 -10.47 59.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.465 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.97 -18.95 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CG1' HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -132.58 114.42 14.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.232 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 66.7 Cg_exo -45.91 167.74 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 4.9 p -118.12 -33.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.414 ' CE ' HG23 ' A' ' 34' ' ' VAL . 8.1 mmtt -139.04 143.58 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -153.95 112.23 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' TYR . . . -165.61 -151.52 6.72 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 8.7 m -123.09 157.19 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -149.52 174.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -100.7 -52.6 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.15 150.07 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 t -75.81 117.25 62.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.221 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 8.3 Cg_exo -70.87 150.8 62.05 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.108 3.08 . . . . 0.0 120.108 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.35 133.78 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.508 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -85.37 153.75 22.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -121.47 174.61 6.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.6 5.94 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -51.15 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -129.75 150.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -109.84 134.08 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.6 m-85 -104.89 139.76 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.56 132.53 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -105.54 160.89 14.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 108.303 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -161.55 139.76 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.55 7.95 35.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.9 p -94.2 163.95 13.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 158.34 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 39.22 40.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -85.32 -47.07 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 143.91 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -135.89 167.24 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.493 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -78.3 166.96 22.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -95.57 -160.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -42.55 -36.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.66 146.05 57.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.1 Cg_exo -61.42 9.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -94.37 -5.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 122.32 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 54.1 p90 -124.83 150.34 46.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -136.58 -177.56 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.238 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 146.7 23.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.2 m -72.8 109.05 5.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 108.362 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.03 165.01 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.1 122.86 17.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 120.06 -15.07 10.27 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 127.65 21.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.85 -14.91 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -100.76 155.85 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 9.1 m -104.74 142.6 34.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -136.64 151.25 49.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -143.66 128.38 18.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 44.5 mtm -100.71 128.85 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 27.5 m-85 -121.07 140.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 46.6 mtp -78.94 154.07 29.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 6.6 mmt -64.14 -35.16 79.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -68.98 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.495 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 19.0 t0 -75.54 81.48 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -14.6 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 3.1 t -86.17 2.79 45.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' OD2' ' A' ' 29' ' ' ASP . 2.8 mt -140.31 100.32 7.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.61 152.62 4.03 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.424 HG23 ' CG ' ' A' ' 35' ' ' LYS . 2.3 p -107.87 -43.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.8 mttm -140.38 146.17 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' CB ' ' A' ' 23' ' ' LYS . 43.0 mtt180 -152.66 127.61 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.58 -145.68 4.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 m -129.87 161.46 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -154.73 176.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 1.3 t0 -100.3 -48.42 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.62 146.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.1 t -75.46 110.83 11.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.8 Cg_exo -63.63 151.5 84.74 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.33 141.52 47.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -85.9 156.61 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -121.84 172.8 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 2.28 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.1 mm? -105.41 -55.56 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.48 162.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.97 139.63 50.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 4.6 m-85 -104.91 123.78 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -106.67 157.24 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 m -137.71 160.58 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 108.31 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 p -164.44 154.86 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.67 6.75 11.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 p -94.18 161.74 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -78.13 155.78 30.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtp180 38.09 41.16 0.36 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.392 1.058 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.69 -49.7 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.277 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 144.19 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.89 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -79.43 157.35 27.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -96.37 -169.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.57 -48.44 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.9 t -96.83 110.26 52.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.9 Cg_exo -60.11 10.85 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -94.95 -4.9 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 136.15 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.1 p90 -126.22 156.36 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.83 -170.56 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.16 147.96 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.7 m -69.48 109.1 3.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.3 Cg_endo -48.25 170.4 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 140.11 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.01 -29.33 11.4 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.04 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -145.5 -44.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.15 172.12 7.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 53.3 m -104.06 145.57 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 108.339 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.29 157.26 43.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.87 133.43 11.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.1 mtp -115.49 148.32 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -142.36 158.8 43.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.476 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 57.9 mtp -77.64 159.49 29.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.71 -34.83 78.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -72.7 -102.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' CG ' HG12 ' A' ' 32' ' ' ILE . 13.1 t0 -77.11 88.05 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -4.1 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.51 HG22 ' CD1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -85.56 -2.2 57.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.51 ' CD1' HG22 ' A' ' 31' ' ' THR . 0.7 OUTLIER -122.01 94.88 47.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -50.96 143.61 30.27 Favored 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 3.4 m -107.17 -37.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' CG ' HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -131.76 136.42 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -146.46 108.49 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.86 -144.35 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 36.4 m -128.26 160.15 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.85 168.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -98.64 -36.64 9.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.56 144.1 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.9 t -75.47 111.33 13.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 21.2 Cg_exo -63.67 160.18 37.65 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -75.43 141.24 43.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -85.49 149.47 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -118.35 170.57 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.4 mt -85.83 13.52 7.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.14 -43.75 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.8 p -130.71 148.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -114.71 137.51 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -108.8 139.86 43.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -135.35 128.72 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -103.38 162.9 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 108.314 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.31 136.66 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.09 9.68 41.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.6 p -94.36 161.12 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.07 157.14 24.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.1 mtm180 38.39 39.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.236 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.3 p -84.61 -49.7 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.63 145.14 44.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -135.32 170.31 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -83.33 159.65 21.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -96.31 -169.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.37 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.81 -48.25 8.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.91 110.5 53.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.2 Cg_exo -59.84 10.11 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -94.89 -3.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.87 133.38 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.4 p90 -125.38 159.59 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -135.56 -171.19 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.4 139.86 33.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 74.4 m -66.72 114.46 17.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.1 Cg_endo -47.72 172.42 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.59 137.98 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.79 -23.24 17.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -121.29 103.36 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -107.19 -10.36 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -92.5 168.15 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.479 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 20.2 m -121.82 144.11 49.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE1' ' HE2' ' A' ' 24' ' ' MET . 7.4 p90 -135.38 156.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 23.7 ttpt -153.37 123.32 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.516 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 31.2 mtt -101.21 134.48 44.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 91.6 m-85 -121.95 131.29 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.514 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 51.4 mtp -83.43 156.65 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mmm -63.87 -33.92 76.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 t -64.25 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.77 71.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 26' ' ' MET . 24.6 mt -71.49 -6.47 40.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -85.44 -27.06 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.88 131.31 23.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 29.7 Cg_endo -56.79 168.25 2.48 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 24' ' ' MET . 3.3 p -116.51 -32.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -136.75 142.66 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -151.81 107.82 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 -157.43 8.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.53 159.37 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 2.9 tt -155.44 175.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -98.52 -42.52 7.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.6 t -117.97 159.87 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 t -75.86 124.55 88.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.7 Cg_exo -63.93 176.1 2.65 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 6.0 mtpm? -67.33 178.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 54.1 m-80 -154.19 128.51 9.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -126.57 172.62 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.941 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.8 -2.42 43.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -98.56 -49.35 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.561 HG13 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.27 131.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.09 162.05 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-85 -131.18 145.73 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.31 116.01 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.6 157.08 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 108.316 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.76 161.8 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.41 2.94 6.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -93.33 160.52 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.1 m-20 -74.23 157.82 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASP . 18.4 mtt180 37.69 42.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.6 p -85.11 -49.08 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -122.84 143.41 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.76 158.88 43.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 108.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.497 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.6 m-20 -67.0 157.71 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.1 mmpt? -96.36 -168.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -48.22 8.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' CG1' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -97.71 110.34 54.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 26.3 Cg_exo -59.89 13.15 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.55 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -94.8 -7.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 136.94 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 38.1 p90 -123.59 157.52 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -136.35 -169.59 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -92.11 145.55 24.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 62.8 m -67.98 126.55 92.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.28 169.66 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.75 137.11 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 -26.58 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 12.5 mmtt -91.4 150.32 21.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -145.72 -40.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 15.2 mt -84.67 152.83 23.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 9.9 m -104.63 143.78 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.4 p90 -134.8 158.23 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.467 ' CG ' HG13 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -156.97 114.12 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.536 ' CG ' ' CD2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.42 130.77 40.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 17.7 m-30 -116.24 135.67 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.539 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 6.5 mtt -74.9 151.78 38.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmm -62.28 -33.47 74.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 t -67.63 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.16 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 13.0 t0 -75.5 80.5 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 26' ' ' MET . 18.0 mt -75.25 -14.88 60.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.36 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.465 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 4.6 t -86.83 1.51 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HB ' ' CG ' ' A' ' 29' ' ' ASP . 3.9 mm -146.64 108.95 4.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 53.8 Cg_exo -47.38 170.93 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 2.7 p -127.37 -39.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -138.94 134.88 33.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.432 ' NH1' ' HG2' ' A' ' 33' ' ' PRO . 24.4 mtp85 -145.84 127.76 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.7 -174.24 45.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 11.7 m -110.21 156.03 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 tt -156.76 173.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -87.98 -45.31 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.9 118.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.501 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 108.294 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.505 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 3.6 Cg_exo -75.89 170.55 19.91 Favored 'Trans proline' 0 CA--C 1.569 2.235 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -75.77 143.4 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -85.45 151.1 24.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -125.24 171.73 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.1 mt -84.27 6.42 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -115.82 -45.5 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -131.11 130.5 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 138.31 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE1' HG13 ' A' ' 49' ' ' VAL . 8.2 m-85 -104.57 122.22 45.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 HG13 ' CG ' ' A' ' 23' ' ' LYS . 2.9 t -107.71 121.33 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 m -96.6 160.63 14.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.1 p -165.22 137.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -107.17 5.76 28.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.371 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -94.38 161.17 14.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -79.35 161.81 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 mpt_? 38.2 37.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.5 p -85.14 -48.38 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -109.72 142.65 40.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 4.5 m -137.41 167.32 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.7 m-20 -80.24 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.03 -156.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -43.01 -36.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.531 ' CG1' HG22 ' A' ' 9' ' ' ILE . 7.8 t -139.97 147.94 52.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 24.2 Cg_exo -60.54 14.67 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.531 HG22 ' CG1' ' A' ' 7' ' ' VAL . 6.3 tp -94.99 -10.18 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 124.13 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.468 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.1 p90 -125.44 153.48 43.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -136.03 -170.78 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.17 142.61 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 98.5 m -67.0 109.07 2.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.307 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.15 173.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.44 136.5 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.94 -28.31 11.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 39' ' ' ILE . 16.3 mttt -107.52 118.46 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -110.89 -25.75 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -100.84 162.32 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -104.31 147.12 27.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -135.39 159.32 41.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -155.04 122.57 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.5 mtp -106.47 132.29 52.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 5.0 m-85 -128.5 163.25 25.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.489 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 35.1 mtp -85.48 157.92 20.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mmt -64.55 -35.7 81.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.5 t -71.23 -97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.083 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' ' CD1' ' A' ' 32' ' ' ILE . 15.9 t0 -75.71 80.33 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -15.71 61.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 3.9 t -86.27 8.17 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CD1' ' OD2' ' A' ' 29' ' ' ASP . 2.5 mt -136.66 90.44 16.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 44.2 Cg_exo -52.25 154.92 10.1 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 11.1 m -116.93 -33.38 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.437 ' N ' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -136.74 140.85 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -152.58 110.35 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.27 -142.11 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 27.7 m -132.07 163.6 28.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 ' N ' ' HB3' ' A' ' 18' ' ' LYS . 1.1 tt -153.28 172.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -100.84 -38.73 8.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -123.86 145.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 t -75.93 111.27 13.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 108.34 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 17.1 Cg_exo -64.68 161.16 36.87 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.7 134.18 40.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.561 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 3.6 m-80 -85.51 154.18 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.0 p -122.92 175.04 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.17 8.59 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.37 -49.7 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -128.8 156.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -116.73 137.24 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.1 m-85 -107.39 138.98 42.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.81 129.03 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -108.83 162.56 14.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 108.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -158.31 162.13 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -126.35 2.46 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 p -93.54 160.63 14.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ARG . 31.3 m-20 -76.17 158.62 31.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 mtp180 37.53 41.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.6 p -84.21 -49.68 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 3.9 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.455 ' CG ' HG22 ' A' ' 13' ' ' THR . 4.0 mttt -127.07 144.82 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 32.5 m -135.42 165.02 26.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.496 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 6.6 m-20 -74.19 167.17 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.74 -35.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.48 143.75 48.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.87 9.27 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.72 -4.96 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 124.85 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.496 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.7 p90 -128.74 152.3 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -136.53 -178.82 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -87.95 151.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -71.23 109.09 4.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.11 167.33 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.149 3.096 . . . . 0.0 120.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.05 136.64 58.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.64 -26.16 25.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -94.66 160.8 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -145.62 -44.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 5.6 mt -100.31 162.82 12.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -104.83 146.28 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -132.75 138.01 47.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' CG ' HG11 ' A' ' 52' ' ' VAL . 7.4 ptmt -131.78 109.77 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.56 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 11.1 mtt -96.6 153.9 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 33' ' ' PRO . 12.2 m-85 -145.38 137.26 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.414 ' N ' HG12 ' A' ' 34' ' ' VAL . 5.8 mtp -74.45 155.95 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 16.7 mmm -64.29 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -64.6 -89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.14 70.72 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 27' ' ' MET . 16.0 mt -73.53 -6.8 48.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.479 HG21 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.72 -21.77 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CG1' HG21 ' A' ' 31' ' ' THR . 0.8 OUTLIER -133.01 132.98 22.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . 26.7 Cg_endo -55.44 168.49 1.47 Allowed 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 26' ' ' MET . 6.9 p -123.77 -35.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -137.26 138.64 40.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -148.74 118.68 7.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.19 -159.15 21.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 m -119.14 157.33 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 1.1 tt -155.77 165.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.46 -46.5 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.66 130.19 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -71.67 131.63 85.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HG2' ' CE ' ' A' ' 24' ' ' MET . 3.7 Cg_exo -76.05 164.19 31.84 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 10.1 mttt -75.31 145.51 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -84.41 149.54 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.9 p -120.75 174.53 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.5 mt -84.19 8.28 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.3 mt -111.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 51' ' ' TYR . 3.4 m -128.78 153.53 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -112.52 149.13 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 49' ' ' VAL . 20.5 m-30 -122.86 146.29 47.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 23' ' ' LYS . 2.4 t -134.48 134.22 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 m -96.31 159.03 15.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.2 p -165.26 133.25 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.443 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -108.05 3.37 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -94.37 165.55 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 33.0 m-20 -79.63 161.98 25.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 13.5 mtm180 38.03 39.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -84.84 -49.56 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.427 ' HG3' ' CG2' ' A' ' 13' ' ' THR . 0.3 OUTLIER -125.9 143.2 51.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -137.56 172.3 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 108.325 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.7 m-20 -75.03 156.85 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.4 mmpt? -96.44 -169.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.26 -47.68 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 t -97.51 109.97 52.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.6 Cg_exo -60.03 12.3 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 tt -94.26 -7.85 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.1 138.74 16.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.3 p90 -123.16 156.3 35.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -136.44 -174.07 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.427 ' CG2' ' HG3' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -84.95 151.76 23.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.17 124.57 91.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 108.322 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -48.62 166.76 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.3 144.11 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 -26.32 8.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 165.01 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -145.63 -42.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 176.5 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 23.5 m -101.78 144.41 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 24' ' ' MET . 2.1 t80 -136.29 136.05 39.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -132.12 161.34 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 22' ' ' TYR . 5.9 mtp -136.21 130.59 33.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 9.0 m-85 -127.73 143.08 51.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 61.9 mtp -74.34 157.07 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 mmt -63.63 -35.2 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -66.09 -101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -76.46 85.0 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 26' ' ' MET . 3.8 mt -73.71 -15.71 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -87.17 7.24 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mm -139.9 94.67 8.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.28 152.18 8.59 Favored 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 p -110.7 -43.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -138.75 144.3 39.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -149.68 137.06 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.83 -150.22 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 57.5 m -122.49 163.82 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -155.63 164.62 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -91.77 -52.55 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 1.6 t -111.34 140.86 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.1 t -76.65 108.71 6.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 6.4 Cg_exo -72.99 162.45 40.96 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -75.44 142.79 42.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.3 163.66 18.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -120.92 173.81 7.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.078 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 2.54 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -104.3 -52.69 2.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.462 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.1 m -130.29 162.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.69 138.15 52.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 20.3 m-30 -104.49 141.31 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.46 136.01 55.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 40.5 m -117.88 147.39 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -148.0 142.67 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.81 7.14 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -94.28 160.45 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.12 161.03 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 57.5 mtm180 36.37 37.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -85.6 -49.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -113.17 144.33 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 5.7 m -136.02 166.04 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -80.42 156.84 26.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -169.83 2.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -43.29 -47.47 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 t -97.3 109.81 51.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.4 Cg_exo -60.06 10.25 0.06 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -95.08 -3.87 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 137.32 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 26.0 p90 -130.93 159.14 38.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.6 -159.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 142.82 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 72.3 m -69.4 109.39 4.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 108.239 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.45 176.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.87 136.99 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.29 -27.69 18.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -94.67 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -145.49 -44.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mt -99.78 167.54 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.6 m -112.43 147.45 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -134.1 144.39 48.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HE3' ' CE1' ' A' ' 25' ' ' PHE . 2.3 ptmt -138.8 116.11 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 65.9 mtp -94.32 139.92 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 33' ' ' PRO . 90.9 m-85 -136.2 139.98 43.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.506 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 54.4 mtp -74.91 159.01 32.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 mmt -64.11 -37.35 87.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 29' ' ' ASP . 27.0 t -65.34 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.459 ' N ' ' HG ' ' A' ' 28' ' ' SER . 11.7 t0 -75.45 76.98 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 26' ' ' MET . 15.6 mt -69.94 -8.41 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.57 -28.29 24.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.8 121.26 43.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . 43.0 Cg_endo -63.36 161.85 29.38 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 6.3 p -114.99 -34.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -142.92 137.33 29.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.379 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -145.36 111.41 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.79 -153.92 7.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 m -116.82 162.7 17.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.481 ' CG2' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -155.41 157.84 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -82.07 -42.73 18.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -124.68 164.92 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.9 t -75.18 129.24 83.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 11.1 Cg_exo -69.61 177.32 5.59 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 54.8 mttt -72.71 -178.75 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.566 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 57.5 m-80 -154.07 131.35 11.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.4 p -125.58 176.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -84.91 7.6 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.4 mt -108.68 -49.11 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.75 135.16 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -103.17 145.23 30.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.9 m-85 -118.0 140.86 49.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -134.44 121.9 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.408 ' SG ' ' CD ' ' A' ' 43' ' ' PRO . 60.5 m -98.35 154.42 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 p -151.65 146.67 25.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.16 6.93 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 74.4 p -94.71 162.24 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -76.58 157.82 31.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 89.2 mtt180 37.68 43.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 30.7 p -85.34 -49.51 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 4.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.09 143.97 45.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 8.2 m -136.31 162.99 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.208 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-80 -76.18 157.77 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -95.78 -169.93 2.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 7.7 tp -43.34 -48.53 6.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.5 t -96.86 110.41 53.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 26.4 Cg_exo -59.82 9.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.152 3.097 . . . . 0.0 120.152 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -93.36 -4.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.14 133.56 12.73 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -124.06 159.55 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -135.64 -162.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.42 144.89 31.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 80.1 m -64.61 108.53 2.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.226 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -47.95 174.6 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.35 137.99 57.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.53 -29.01 8.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.482 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 6.1 mptt -90.77 155.05 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -145.69 -44.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 19.1 mt -100.52 161.13 13.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -104.53 145.38 30.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.47 142.94 50.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -137.13 122.82 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.583 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.6 mtp -110.56 149.2 30.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.8 m-85 -135.11 152.26 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.519 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 47.9 mtp -78.18 162.84 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mmm -62.87 -37.18 85.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -65.91 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.402 ' OD2' ' CD1' ' A' ' 32' ' ' ILE . 13.9 t0 -75.98 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 26' ' ' MET . 7.3 mt -69.35 -9.84 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.233 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -86.05 -28.29 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' CD1' ' OD2' ' A' ' 29' ' ' ASP . 10.8 mt -101.94 108.3 55.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.446 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 50.2 Cg_exo -49.59 163.28 0.47 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.487 HG11 ' CG ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -127.47 -39.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' CG ' HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.33 134.99 46.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NH2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -146.69 109.52 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.363 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.83 -169.14 26.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.7 m -113.12 153.65 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.482 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 7.8 tt -156.15 169.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -82.91 -46.03 13.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -125.52 141.28 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -75.27 136.74 72.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 4.5 Cg_exo -76.48 165.54 28.92 Favored 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -75.8 144.29 41.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 9.9 m-80 -85.67 145.26 27.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -120.16 175.69 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt -84.72 8.44 17.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -108.68 -54.62 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.528 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.9 m -131.21 143.93 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -98.69 136.7 38.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 5.0 m-85 -104.67 143.81 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.59 152.14 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.9 m -112.21 159.88 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 108.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.1 p -165.15 125.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -99.67 4.78 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -93.53 163.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 2.0 m-20 -81.94 163.96 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 54.6 mtm180 38.26 38.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 31.0 p -85.61 -49.6 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 108.256 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -123.26 144.7 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.1 m -135.43 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 108.233 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.497 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-20 -79.56 171.38 15.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -95.09 -163.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tp -42.86 -35.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.34 145.62 56.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.61 9.9 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -93.7 -6.1 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.95 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.7 p90 -126.78 150.65 49.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 -174.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.465 ' HA ' ' CG ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -97.72 150.33 21.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.455 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 91.7 m -73.11 108.64 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.259 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 19.4 Cg_endo -48.24 169.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.185 3.11 . . . . 0.0 120.185 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -58.98 139.82 56.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.88 9.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.5 mttp -97.81 163.32 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -145.55 -43.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.23 169.04 10.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 15.5 m -103.86 146.46 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -123.05 150.22 43.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -134.03 115.86 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.415 ' O ' HG21 ' A' ' 34' ' ' VAL . 82.6 mtp -99.17 127.16 45.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.9 m-85 -132.13 151.35 51.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.479 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 38.0 mtp -84.94 159.1 20.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.6 mmm -64.8 -36.08 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.992 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -76.93 82.76 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.81 -10.19 59.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.78 31.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mt -114.38 98.87 50.02 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 51.0 Cg_exo -48.48 150.8 5.39 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -105.42 -46.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -142.94 152.23 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 11.4 mtm180 -151.71 127.95 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.24 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.47 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -164.39 -147.94 5.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 m -124.41 163.77 21.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -152.44 164.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.92 -40.67 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -125.52 143.66 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.0 t -64.67 107.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.4 Cg_exo -64.2 153.49 76.12 Favored 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 135.67 40.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -85.44 153.67 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -116.78 178.11 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.83 7.88 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.59 -55.01 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.57 145.56 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -105.94 138.69 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CE1' HG13 ' A' ' 49' ' ' VAL . 7.0 m-85 -108.29 126.53 52.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.31 172.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -144.37 147.09 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.341 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 p -153.72 134.61 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.88 8.13 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.382 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -94.15 166.87 11.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.27 160.45 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 38.91 36.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p -85.09 -48.81 8.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.94 142.71 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.5 m -137.35 162.4 33.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.431 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.78 163.66 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.92 -163.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.43 -33.09 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 t -134.57 141.1 37.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.4 Cg_exo -61.58 9.35 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -3.79 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.64 129.8 10.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -133.91 153.36 51.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' CD ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.79 -171.72 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.81 145.87 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.0 m -75.33 110.9 11.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.44 165.58 0.16 Allowed 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -59.92 139.35 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -28.66 14.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.48 117.9 24.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -111.64 -8.98 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.1 mt -99.17 159.17 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 m -112.1 145.56 39.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 6.0 p90 -135.78 152.78 51.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.31 123.32 12.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 51.8 mtt -97.13 139.32 33.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 33' ' ' PRO . 49.2 m-85 -133.68 147.65 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.46 ' CG ' HG21 ' A' ' 34' ' ' VAL . 60.5 mtm -76.07 156.06 34.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -63.51 -38.89 92.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 t -69.04 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 32' ' ' ILE . 21.0 t0 -75.69 75.65 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 27' ' ' MET . 0.8 OUTLIER -73.23 -12.77 60.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.41 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 3.9 t -85.59 5.6 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 ' CD1' ' OD2' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -139.77 125.1 11.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . 42.8 Cg_endo -63.21 160.31 35.26 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -120.16 -41.32 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.64 151.86 49.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.373 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -148.96 111.68 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.32 -158.02 9.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.7 m -125.14 156.5 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.09 177.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -45.29 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.27 152.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -75.14 110.74 10.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 21.1 Cg_exo -63.45 152.51 79.77 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.69 131.49 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -86.06 160.53 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -123.79 177.12 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -85.84 12.98 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.0 mt -115.28 -54.09 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.61 142.18 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -102.56 137.48 40.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-85 -109.67 124.88 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.8 t -106.68 161.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.84 161.8 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -161.7 158.53 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -125.32 0.85 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -94.12 164.19 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -77.38 161.11 28.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 65.1 mtp180 36.96 42.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -84.61 -50.19 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.442 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 30.5 mttt -118.86 144.17 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -136.0 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -78.16 165.94 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.93 -157.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -37.51 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.56 144.83 52.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.83 9.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -95.18 -4.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.34 119.06 5.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.8 p90 -127.02 151.49 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.56 -166.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.442 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.38 141.32 36.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 57.9 m -64.8 108.19 1.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.7 Cg_endo -48.99 171.29 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.81 137.46 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.41 -32.65 7.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -95.18 163.87 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.06 -42.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.6 167.79 10.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 10.8 m -103.94 145.35 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -132.09 151.04 51.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.61 129.9 19.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 3.9 mtm -112.56 141.07 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -139.2 152.73 47.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.509 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 8.7 mtt -76.62 159.28 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.8 mmt -63.91 -36.35 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 t -70.72 -98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -75.14 87.17 2.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 26' ' ' MET . 4.4 mt -75.85 -13.08 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -6.06 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.69 93.26 47.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -50.38 153.43 7.3 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 120.128 3.088 . . . . 0.0 120.128 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -116.15 -39.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.407 ' CB ' ' HE3' ' A' ' 24' ' ' MET . 5.4 mmtp -135.84 136.26 40.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -149.27 113.66 5.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.23 2.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.5 m -130.84 162.81 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -151.62 168.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.1 -40.73 8.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.54 150.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -75.57 111.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.265 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.66 160.3 37.01 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -75.08 136.56 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.592 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 13.2 m-80 -86.0 149.98 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -120.07 170.99 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.5 11.21 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 3.3 mp -115.34 -46.96 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.411 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -130.44 153.32 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 144.38 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.236 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 2.9 m-85 -118.98 140.12 50.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.15 140.65 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -114.11 160.11 19.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -160.35 133.09 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 5.86 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 p -94.28 160.17 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -81.37 162.55 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 43.4 mtm180 37.53 36.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.87 -48.77 8.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -121.23 144.78 48.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -135.32 175.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 108.386 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.492 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -82.41 167.49 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -94.6 -162.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -42.34 -35.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.4 143.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.7 10.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -93.12 -7.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.03 123.69 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.492 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.9 p90 -126.41 151.46 47.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.29 -175.05 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.65 145.75 24.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 99.1 m -66.92 108.83 2.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 108.241 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 19.2 Cg_endo -48.41 169.88 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -64.65 129.93 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.58 -24.49 21.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -128.88 130.05 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -117.18 -28.94 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.07 158.23 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -104.57 145.61 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.531 ' CE2' ' HE1' ' A' ' 24' ' ' MET . 2.7 p90 -135.68 149.06 49.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HE2' ' CG1' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -145.89 113.8 6.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.243 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.531 ' HE1' ' CE2' ' A' ' 22' ' ' TYR . 28.4 mtt -99.43 146.59 26.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.489 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 20.3 m-85 -138.59 147.15 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.515 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 81.0 mtp -75.02 154.91 37.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 20.0 mmm -64.41 -38.99 92.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -75.35 -79.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.68 68.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 26' ' ' MET . 20.7 mt -73.54 -13.69 61.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.46 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 1.6 t -86.28 6.27 30.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.364 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -148.95 136.52 11.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 4.7 Cg_exo -76.71 159.3 35.22 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.088 3.072 . . . . 0.0 120.088 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -115.41 -36.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -137.68 131.04 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.2 103.29 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.47 -134.97 1.8 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.4 m -137.36 164.18 29.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -154.47 171.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -101.32 -31.96 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.58 146.49 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.5 t -76.24 111.53 15.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.5 Cg_exo -63.95 152.44 80.84 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -74.97 140.06 43.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.9 152.05 23.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -124.34 168.94 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.08 3.1 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.7 mt -103.65 -51.17 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 51' ' ' TYR . 3.0 m -130.96 165.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -124.52 139.91 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-85 -114.24 141.93 46.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 2.6 t -134.31 121.61 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 m -94.35 164.67 12.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -164.09 137.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.236 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.402 ' ND2' HG22 ' A' ' 56' ' ' THR . 0.5 OUTLIER -101.17 4.65 42.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.402 HG22 ' ND2' ' A' ' 55' ' ' ASN . 48.5 p -93.81 167.95 11.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.29 163.79 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 37.9 37.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.3 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -114.52 143.5 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m -136.21 163.43 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.493 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -78.79 157.01 28.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -96.38 -167.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.6 tp -43.27 -49.0 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.391 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.61 109.81 50.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.8 Cg_exo -60.05 10.45 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.137 3.091 . . . . 0.0 120.137 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.55 -4.48 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.46 134.97 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 51.3 p90 -127.36 156.94 41.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -136.35 -178.86 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -84.78 141.68 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 99.6 m -66.18 110.07 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 108.273 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.07 174.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.65 140.11 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.01 -31.26 6.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 160.92 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -145.62 -43.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.12 171.85 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 2.6 m -103.4 147.76 26.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 108.266 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.504 ' CD1' ' HE2' ' A' ' 24' ' ' MET . 0.5 OUTLIER -132.23 145.72 51.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.49 125.5 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 38.5 mtt -112.05 139.38 47.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -132.53 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.402 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 35.7 mtp -76.24 159.15 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -63.65 -37.07 85.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 t -68.66 -98.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.13 83.59 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -13.19 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.9 p -86.27 -2.12 58.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -129.49 100.4 19.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 52.8 Cg_exo -50.17 151.12 9.6 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -111.37 -39.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -136.91 139.15 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' NH1' ' HG2' ' A' ' 33' ' ' PRO . 19.2 mtp180 -146.22 124.99 12.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.47 -158.97 21.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 79.6 m -110.79 164.46 12.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -154.72 166.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.39 -41.52 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.98 142.83 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.1 t -75.78 110.84 11.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -65.3 161.65 36.82 Favored 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.075 3.067 . . . . 0.0 120.075 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -74.78 135.64 41.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.579 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 6.2 m-80 -85.95 150.2 24.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -120.53 174.66 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.44 10.69 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.36 -50.92 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.514 HG13 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.47 146.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -106.22 147.37 29.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 3.9 m-85 -120.0 137.84 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.24 120.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 10.5 m -106.09 153.26 22.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 108.304 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.0 p -150.67 148.13 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 108.231 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.596 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -108.18 12.75 26.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -94.11 159.41 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -77.74 148.3 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.6 mtp180 36.36 45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.55 -51.45 8.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.48 ' OD1' ' HB3' ' A' ' 21' ' ' CYS . 1.5 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HG2' ' CA ' ' A' ' 13' ' ' THR . 2.6 mtmt -114.35 143.71 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.45 163.98 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.7 m120 -74.39 154.84 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -168.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.04 -48.41 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.9 t -97.31 110.09 52.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.8 Cg_exo -60.21 11.58 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -5.76 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.17 138.88 17.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 21.3 p90 -125.85 162.15 25.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.28 -168.68 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.464 ' CA ' ' HG2' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -105.83 140.77 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 71.3 m -75.1 110.01 9.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -48.09 169.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.43 141.93 58.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.0 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -145.28 85.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.7 t30 -101.21 6.27 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -88.81 152.59 21.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.8 m -106.32 142.59 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -135.38 155.74 50.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 127.34 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -114.09 141.75 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.943 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -134.69 156.09 49.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 68.0 mtp -79.04 161.25 26.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.3 mmt -64.72 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -71.58 -97.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 5.5 t0 -73.54 81.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.8 -14.46 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.439 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 5.2 t -86.49 4.67 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -129.9 96.21 26.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -45.7 155.02 0.55 Allowed 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -118.3 -41.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.513 ' C ' ' HG2' ' A' ' 36' ' ' ARG . 15.8 mttt -136.55 133.37 36.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HG2' ' C ' ' A' ' 35' ' ' LYS . 2.8 mmm180 -142.23 121.02 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.83 -162.47 27.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.7 m -108.64 154.53 21.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 tt -145.79 174.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -100.85 -53.68 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.15 148.72 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.507 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.9 t -75.41 121.71 85.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 5.9 Cg_exo -73.46 154.93 50.69 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.54 135.7 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 m-80 -85.49 155.41 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 p -124.55 174.65 7.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.1 7.47 18.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' MET . 13.6 mt -108.17 -50.72 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.531 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -130.47 156.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.82 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -111.16 138.82 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.28 122.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -103.9 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 108.276 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -163.66 146.99 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.88 9.25 20.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 p -93.33 160.89 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.3 m-20 -77.78 154.54 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASP . 40.3 mtm180 37.0 44.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p -85.41 -49.68 7.91 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.102 . . . . 0.0 108.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.0 143.82 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.4 m -136.29 164.01 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -70.77 149.69 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -96.22 -163.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -42.96 -49.13 6.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.249 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -97.25 109.8 51.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 24.7 Cg_exo -60.59 9.64 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.139 0 N-CA-C 120.168 3.103 . . . . 0.0 120.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -96.01 -3.13 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.06 138.15 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -120.93 161.92 20.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -135.77 178.4 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.64 151.29 24.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 95.3 m -74.95 108.82 6.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.13 171.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.25 137.57 58.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.44 -30.28 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' CE ' ' HG2' ' A' ' 15' ' ' PRO . 9.2 mtmt -103.21 155.51 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -145.66 -42.4 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.24 165.44 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.477 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 8.5 m -105.33 142.64 34.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -136.73 158.53 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.44 142.13 25.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 mtm -121.1 130.69 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 5.5 m-85 -132.81 158.04 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.462 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 52.9 mtm -83.68 155.24 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -64.17 -33.81 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -73.46 -98.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.479 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 12.7 t0 -73.64 77.93 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -71.71 -16.15 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.479 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -86.55 11.74 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -140.62 92.73 8.9 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 161.83 6.38 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 35' ' ' LYS . 6.3 m -124.76 -42.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.9 mttp -131.17 138.64 49.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 60' ' ' ASN . 40.3 mtt-85 -155.25 112.87 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.81 -143.66 3.76 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 59.7 m -117.81 166.4 12.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.61 170.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -45.16 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -124.67 147.72 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -70.88 109.78 5.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.67 155.5 62.89 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 134.26 43.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.584 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 17.1 m-80 -86.03 157.26 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -121.46 173.52 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.888 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.26 13.74 7.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 -49.17 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -129.71 155.8 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.94 153.61 28.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.6 ' CE1' HG12 ' A' ' 49' ' ' VAL . 2.5 m-85 -131.99 124.17 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.553 HG22 ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -107.68 149.55 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -124.88 155.14 39.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 108.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 p -155.83 167.24 31.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -127.75 2.27 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.3 p -94.4 166.74 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.0 m-20 -82.15 162.93 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' ASP . 23.8 mtm180 36.99 35.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.8 p -85.92 -49.86 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 108.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.485 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -116.15 143.67 45.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -136.18 164.03 29.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.538 1.148 . . . . 0.0 108.253 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.455 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -75.59 165.67 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.63 -158.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -37.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 7.3 t -137.0 146.28 54.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.7 Cg_exo -61.0 14.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.64 -7.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.06 127.77 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.455 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.4 p90 -132.3 150.3 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.59 178.54 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.46 149.23 25.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -73.92 120.25 80.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 17.7 Cg_endo -47.65 175.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.255 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.41 137.65 58.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.39 0.32 66.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.78 104.91 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -111.2 -18.38 12.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.07 163.83 16.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.9 m -119.77 141.01 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -136.55 151.26 49.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -148.35 125.1 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 67.5 mtp -94.44 141.46 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 33' ' ' PRO . 50.4 m-85 -134.94 135.42 41.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 mtp -74.84 158.28 33.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -63.15 -35.41 80.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 29' ' ' ASP . 29.1 t -64.08 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.462 ' N ' ' HG ' ' A' ' 28' ' ' SER . 12.9 t0 -75.89 79.35 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.5 -8.99 57.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.03 -24.78 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -113.95 121.03 37.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 42.4 Cg_endo -63.22 161.92 28.62 Favored 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.169 3.103 . . . . 0.0 120.169 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 24' ' ' MET . 5.6 p -113.69 -36.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 34' ' ' VAL . 16.1 mmtp -138.33 146.94 42.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -151.45 111.92 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.237 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.23 -149.35 5.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -129.47 160.65 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.79 -179.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -100.67 -46.27 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -124.25 158.96 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 3.6 t -71.47 111.29 9.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 22.2 Cg_exo -62.68 174.42 2.92 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 20.1 mttt -67.83 176.65 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.531 ' HA ' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -153.21 140.26 19.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -118.23 178.11 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -84.39 6.9 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 mt -108.06 -49.09 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 m -127.56 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -111.78 144.9 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.4 m-85 -113.49 122.87 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.093 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.19 115.57 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 m -94.13 161.28 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -161.99 158.13 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER -125.8 3.89 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.449 HG23 ' ND2' ' A' ' 55' ' ' ASN . 52.8 p -93.95 161.93 14.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -75.14 157.31 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER 37.96 44.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.6 p -85.63 -49.54 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.235 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.7 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -116.18 143.5 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.59 172.43 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.249 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 m-20 -81.37 165.42 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -93.65 -161.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.71 -35.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.377 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.2 141.86 40.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.1 Cg_exo -61.64 10.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.053 3.059 . . . . 0.0 120.053 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -92.45 -8.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.22 121.66 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.3 p90 -122.2 154.42 37.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -135.92 -166.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.81 150.25 25.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 58.2 m -75.43 108.44 5.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 18.5 Cg_endo -48.91 177.95 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 120.046 3.056 . . . . 0.0 120.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.9 138.82 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.46 -29.28 9.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.7 mttt -87.24 157.03 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -145.65 -45.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.71 167.6 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 6.3 m -104.43 146.35 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -134.68 137.14 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.591 ' HE3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -134.82 123.02 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.243 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.458 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 3.2 mtt -105.53 126.8 52.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CE2' ' HE3' ' A' ' 23' ' ' LYS . 9.3 m-30 -115.03 134.19 55.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.532 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 22.7 mtp -74.74 149.7 39.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -70.44 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.466 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 10.1 t0 -75.06 81.55 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 26' ' ' MET . 11.9 mt -75.35 -15.17 60.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.466 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -87.05 2.28 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.42 ' HB ' ' CG ' ' A' ' 29' ' ' ASP . 3.0 mm -144.72 105.51 4.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 50.1 Cg_exo -49.34 164.53 0.3 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 3.3 p -121.72 -38.22 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -136.58 133.95 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.79 108.94 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.4 -139.93 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 34.4 m -129.92 162.78 27.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.433 ' CA ' ' HG2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -151.64 167.12 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -37.79 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.94 132.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.32 107.48 1.38 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 108.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -64.61 154.55 71.57 Favored 'Trans proline' 0 CA--C 1.567 2.134 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 49.2 mttt -75.66 135.03 40.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -82.0 163.16 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -129.12 -179.82 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.8 mt -84.97 4.8 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.18 -53.37 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' A' ' 51' ' ' TYR . 1.7 p -130.51 141.1 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 131.52 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.506 ' CE1' HG22 ' A' ' 49' ' ' VAL . 12.3 m-85 -104.75 121.34 43.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.15 115.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -94.03 145.75 24.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.088 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -147.37 165.58 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.16 6.1 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -95.13 162.63 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -77.19 155.56 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtm180 38.32 40.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -84.57 -48.23 9.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.4 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 143.36 45.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -136.57 166.25 23.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.329 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -76.63 154.54 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' HG3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.87 -169.16 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.31 -47.27 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.8 t -97.45 109.59 50.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.2 Cg_exo -60.15 10.34 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.123 3.086 . . . . 0.0 120.123 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG12 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -94.85 -4.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 139.41 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.3 p90 -130.76 157.52 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' CD ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.75 -166.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.85 144.22 29.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.48 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 77.9 m -64.52 108.1 1.76 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.48 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.4 Cg_endo -48.9 170.36 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.04 133.73 55.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.4 -15.04 46.83 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 160.92 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -145.4 -41.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.51 157.74 28.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.9 144.03 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 9.5 p90 -131.59 141.68 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -129.44 123.79 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.482 ' CG ' ' HB2' ' A' ' 35' ' ' LYS . 4.6 mtt -103.15 130.11 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 41.6 m-85 -127.35 151.08 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.7 mtp -82.3 163.76 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt -64.67 -38.33 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.468 ' HG ' ' N ' ' A' ' 29' ' ' ASP . 29.7 t -71.17 -98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.468 ' N ' ' HG ' ' A' ' 28' ' ' SER . 5.4 t0 -76.09 84.96 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -11.92 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.99 -13.89 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.8 mt -111.82 102.8 54.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -49.94 144.79 20.5 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.463 HG22 ' CE ' ' A' ' 35' ' ' LYS . 6.2 p -109.08 -38.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.482 ' HB2' ' CG ' ' A' ' 24' ' ' MET . 8.3 mmtt -140.47 145.7 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -146.6 127.79 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.592 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.78 -165.78 33.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.8 m -120.76 165.02 15.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -155.11 -179.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.21 -52.02 3.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -107.95 153.74 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -75.46 109.79 8.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 15.6 Cg_exo -66.1 151.89 82.61 Favored 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -74.67 139.42 43.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -85.52 167.22 15.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -120.97 174.32 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 mt -84.44 7.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.74 -48.76 2.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' CE1' ' A' ' 51' ' ' TYR . 3.2 m -130.71 161.61 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.79 143.91 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE1' HG22 ' A' ' 49' ' ' VAL . 13.3 m-85 -116.89 120.48 38.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.72 136.17 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -101.15 154.03 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.67 130.31 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -95.72 9.76 39.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -94.79 160.92 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.5 159.92 22.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.2 mtp180 37.0 39.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.32 -46.38 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.4 OUTLIER -121.06 143.56 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.5 m -136.64 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.484 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.53 155.26 38.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -96.2 -167.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.416 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.27 -48.27 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.464 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -97.27 109.68 50.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.2 Cg_exo -60.16 10.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.17 3.104 . . . . 0.0 120.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.6 tp -94.93 -5.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.23 137.68 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.484 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 23.3 p90 -126.23 156.76 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.07 -174.35 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.41 145.16 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 83.2 m -74.19 130.15 83.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 16.3 Cg_endo -47.66 165.22 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.62 137.52 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 -22.4 16.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -114.56 108.58 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.81 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -111.23 -3.8 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.3 mt -100.44 151.76 21.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.1 m -105.41 144.28 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 7.8 p90 -135.46 153.08 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 127.05 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 26.7 mtp -112.1 145.57 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.1 m-85 -134.3 132.08 39.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.529 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 60.7 mtp -76.56 157.71 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.22 -33.26 75.1 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -96.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -75.42 76.36 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 26' ' ' MET . 25.7 mt -73.68 -10.47 59.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.465 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.97 -18.95 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CG1' HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -132.58 114.42 14.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.232 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 66.7 Cg_exo -45.91 167.74 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 4.9 p -118.12 -33.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.414 ' CE ' HG23 ' A' ' 34' ' ' VAL . 8.1 mmtt -139.04 143.58 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -153.95 112.23 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' TYR . . . -165.61 -151.52 6.72 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 8.7 m -123.09 157.19 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -149.52 174.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -100.7 -52.6 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.15 150.07 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.465 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 t -75.81 117.25 62.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.221 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 8.3 Cg_exo -70.87 150.8 62.05 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.108 3.08 . . . . 0.0 120.108 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.35 133.78 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.508 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -85.37 153.75 22.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -121.47 174.61 6.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.6 5.94 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -51.15 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -129.75 150.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -109.84 134.08 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.6 m-85 -104.89 139.76 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.56 132.53 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -105.54 160.89 14.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 108.303 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -161.55 139.76 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.55 7.95 35.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.9 p -94.2 163.95 13.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 158.34 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 39.22 40.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -85.32 -47.07 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 143.91 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -135.89 167.24 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.493 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -78.3 166.96 22.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -95.57 -160.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -42.55 -36.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.66 146.05 57.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.1 Cg_exo -61.42 9.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -94.37 -5.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 122.32 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 54.1 p90 -124.83 150.34 46.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -136.58 -177.56 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.238 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 146.7 23.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.2 m -72.8 109.05 5.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 108.362 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.03 165.01 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.1 122.86 17.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 120.06 -15.07 10.27 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 127.65 21.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.85 -14.91 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -100.76 155.85 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 9.1 m -104.74 142.6 34.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -136.64 151.25 49.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -143.66 128.38 18.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 44.5 mtm -100.71 128.85 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 27.5 m-85 -121.07 140.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' HOH . 46.6 mtp -78.94 154.07 29.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 6.6 mmt -64.14 -35.16 79.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -68.98 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.495 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 19.0 t0 -75.54 81.48 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -14.6 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 3.1 t -86.17 2.79 45.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' OD2' ' A' ' 29' ' ' ASP . 2.8 mt -140.31 100.32 7.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.61 152.62 4.03 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.424 HG23 ' CG ' ' A' ' 35' ' ' LYS . 2.3 p -107.87 -43.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.8 mttm -140.38 146.17 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' CB ' ' A' ' 23' ' ' LYS . 43.0 mtt180 -152.66 127.61 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.58 -145.68 4.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 m -129.87 161.46 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -154.73 176.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 1.3 t0 -100.3 -48.42 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -110.62 146.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.1 t -75.46 110.83 11.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.8 Cg_exo -63.63 151.5 84.74 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.33 141.52 47.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -85.9 156.61 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -121.84 172.8 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 2.28 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.1 mm? -105.41 -55.56 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.48 162.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.97 139.63 50.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 4.6 m-85 -104.91 123.78 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -106.67 157.24 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 m -137.71 160.58 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 108.31 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 p -164.44 154.86 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.67 6.75 11.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 p -94.18 161.74 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -78.13 155.78 30.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtp180 38.09 41.16 0.36 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.392 1.058 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.69 -49.7 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.277 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.412 ' O ' ' CG ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 144.19 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.89 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -79.43 157.35 27.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -96.37 -169.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.57 -48.44 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.9 t -96.83 110.26 52.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.9 Cg_exo -60.11 10.85 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -94.95 -4.9 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 136.15 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.1 p90 -126.22 156.36 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.83 -170.56 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.16 147.96 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.7 m -69.48 109.1 3.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.3 Cg_endo -48.25 170.4 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 140.11 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.01 -29.33 11.4 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.04 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -145.5 -44.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.15 172.12 7.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 53.3 m -104.06 145.57 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 108.339 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.29 157.26 43.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.87 133.43 11.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.1 mtp -115.49 148.32 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -142.36 158.8 43.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.476 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 57.9 mtp -77.64 159.49 29.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.71 -34.83 78.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -72.7 -102.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' CG ' HG12 ' A' ' 32' ' ' ILE . 13.1 t0 -77.11 88.05 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -4.1 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.51 HG22 ' CD1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -85.56 -2.2 57.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.51 ' CD1' HG22 ' A' ' 31' ' ' THR . 0.7 OUTLIER -122.01 94.88 47.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -50.96 143.61 30.27 Favored 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 3.4 m -107.17 -37.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' CG ' HG21 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -131.76 136.42 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -146.46 108.49 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.86 -144.35 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 36.4 m -128.26 160.15 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.85 168.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -98.64 -36.64 9.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.56 144.1 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.9 t -75.47 111.33 13.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.275 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 21.2 Cg_exo -63.67 160.18 37.65 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -75.43 141.24 43.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -85.49 149.47 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -118.35 170.57 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.4 mt -85.83 13.52 7.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.14 -43.75 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.8 p -130.71 148.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -114.71 137.51 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -108.8 139.86 43.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -135.35 128.72 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -103.38 162.9 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 108.314 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.31 136.66 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -101.09 9.68 41.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.6 p -94.36 161.12 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.07 157.14 24.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.1 mtm180 38.39 39.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.236 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.3 p -84.61 -49.7 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.409 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.63 145.14 44.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -135.32 170.31 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -83.33 159.65 21.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -96.31 -169.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.37 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.403 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.81 -48.25 8.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.91 110.5 53.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.2 Cg_exo -59.84 10.11 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -94.89 -3.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.87 133.38 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.4 p90 -125.38 159.59 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -135.56 -171.19 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.4 139.86 33.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.467 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 74.4 m -66.72 114.46 17.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.1 Cg_endo -47.72 172.42 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.59 137.98 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.79 -23.24 17.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -121.29 103.36 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -107.19 -10.36 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -92.5 168.15 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.479 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 20.2 m -121.82 144.11 49.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE1' ' HE2' ' A' ' 24' ' ' MET . 7.4 p90 -135.38 156.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 23.7 ttpt -153.37 123.32 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.516 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 31.2 mtt -101.21 134.48 44.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 91.6 m-85 -121.95 131.29 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.514 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 51.4 mtp -83.43 156.65 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mmm -63.87 -33.92 76.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 t -64.25 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.77 71.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 26' ' ' MET . 24.6 mt -71.49 -6.47 40.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -85.44 -27.06 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.88 131.31 23.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 29.7 Cg_endo -56.79 168.25 2.48 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 24' ' ' MET . 3.3 p -116.51 -32.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -136.75 142.66 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -151.81 107.82 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 -157.43 8.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.53 159.37 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 2.9 tt -155.44 175.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -98.52 -42.52 7.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.6 t -117.97 159.87 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.512 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 t -75.86 124.55 88.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.7 Cg_exo -63.93 176.1 2.65 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 6.0 mtpm? -67.33 178.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.489 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 54.1 m-80 -154.19 128.51 9.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -126.57 172.62 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.941 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.8 -2.42 43.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -98.56 -49.35 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.561 HG13 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.27 131.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.09 162.05 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-85 -131.18 145.73 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.31 116.01 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.6 157.08 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 108.316 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.76 161.8 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.41 2.94 6.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -93.33 160.52 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.1 m-20 -74.23 157.82 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASP . 18.4 mtt180 37.69 42.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.6 p -85.11 -49.08 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -122.84 143.41 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.76 158.88 43.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 108.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.497 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.6 m-20 -67.0 157.71 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.1 mmpt? -96.36 -168.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -48.22 8.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' CG1' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -97.71 110.34 54.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 26.3 Cg_exo -59.89 13.15 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.55 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -94.8 -7.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 136.94 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 38.1 p90 -123.59 157.52 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -136.35 -169.59 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -92.11 145.55 24.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.461 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 62.8 m -67.98 126.55 92.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.28 169.66 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.75 137.11 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 -26.58 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 12.5 mmtt -91.4 150.32 21.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -145.72 -40.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 15.2 mt -84.67 152.83 23.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 9.9 m -104.63 143.78 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.4 p90 -134.8 158.23 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.467 ' CG ' HG13 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -156.97 114.12 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.536 ' CG ' ' CD2' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -94.42 130.77 40.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 17.7 m-30 -116.24 135.67 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.539 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 6.5 mtt -74.9 151.78 38.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmm -62.28 -33.47 74.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 t -67.63 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.16 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 13.0 t0 -75.5 80.5 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 26' ' ' MET . 18.0 mt -75.25 -14.88 60.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.36 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.465 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 4.6 t -86.83 1.51 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.406 ' HB ' ' CG ' ' A' ' 29' ' ' ASP . 3.9 mm -146.64 108.95 4.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 53.8 Cg_exo -47.38 170.93 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.484 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 2.7 p -127.37 -39.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -138.94 134.88 33.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.432 ' NH1' ' HG2' ' A' ' 33' ' ' PRO . 24.4 mtp85 -145.84 127.76 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.7 -174.24 45.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 11.7 m -110.21 156.03 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 tt -156.76 173.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -87.98 -45.31 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.9 118.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 108.294 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.505 ' HB2' ' CE2' ' A' ' 51' ' ' TYR . 3.6 Cg_exo -75.89 170.55 19.91 Favored 'Trans proline' 0 CA--C 1.569 2.235 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -75.77 143.4 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -85.45 151.1 24.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -125.24 171.73 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.1 mt -84.27 6.42 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -115.82 -45.5 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.564 HG13 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -131.11 130.5 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 138.31 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.564 ' CE1' HG13 ' A' ' 49' ' ' VAL . 8.2 m-85 -104.57 122.22 45.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG13 ' CG ' ' A' ' 23' ' ' LYS . 2.9 t -107.71 121.33 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 m -96.6 160.63 14.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.1 p -165.22 137.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -107.17 5.76 28.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.371 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -94.38 161.17 14.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -79.35 161.81 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 mpt_? 38.2 37.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.5 p -85.14 -48.38 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -109.72 142.65 40.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 4.5 m -137.41 167.32 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.468 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.7 m-20 -80.24 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.03 -156.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -43.01 -36.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.531 ' CG1' HG22 ' A' ' 9' ' ' ILE . 7.8 t -139.97 147.94 52.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 24.2 Cg_exo -60.54 14.67 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.531 HG22 ' CG1' ' A' ' 7' ' ' VAL . 6.3 tp -94.99 -10.18 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 124.13 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.468 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.1 p90 -125.44 153.48 43.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -136.03 -170.78 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.17 142.61 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 98.5 m -67.0 109.07 2.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.307 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.15 173.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.44 136.5 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.94 -28.31 11.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HB3' ' N ' ' A' ' 39' ' ' ILE . 16.3 mttt -107.52 118.46 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -110.89 -25.75 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -100.84 162.32 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -104.31 147.12 27.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -135.39 159.32 41.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -155.04 122.57 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.5 mtp -106.47 132.29 52.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 5.0 m-85 -128.5 163.25 25.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.489 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 35.1 mtp -85.48 157.92 20.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mmt -64.55 -35.7 81.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.5 t -71.23 -97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.083 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.506 ' OD2' ' CD1' ' A' ' 32' ' ' ILE . 15.9 t0 -75.71 80.33 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -15.71 61.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.495 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 3.9 t -86.27 8.17 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CD1' ' OD2' ' A' ' 29' ' ' ASP . 2.5 mt -136.66 90.44 16.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.472 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 44.2 Cg_exo -52.25 154.92 10.1 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 11.1 m -116.93 -33.38 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.437 ' N ' HG21 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -136.74 140.85 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.472 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 0.1 OUTLIER -152.58 110.35 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.27 -142.11 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 27.7 m -132.07 163.6 28.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.416 ' N ' ' HB3' ' A' ' 18' ' ' LYS . 1.1 tt -153.28 172.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -100.84 -38.73 8.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -123.86 145.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.0 t -75.93 111.27 13.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 108.34 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 17.1 Cg_exo -64.68 161.16 36.87 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.7 134.18 40.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.561 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 3.6 m-80 -85.51 154.18 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.0 p -122.92 175.04 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.17 8.59 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.37 -49.7 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -128.8 156.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -116.73 137.24 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.1 m-85 -107.39 138.98 42.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.81 129.03 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -108.83 162.56 14.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 108.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -158.31 162.13 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -126.35 2.46 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 p -93.54 160.63 14.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ARG . 31.3 m-20 -76.17 158.62 31.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 mtp180 37.53 41.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.6 p -84.21 -49.68 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 3.9 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.406 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.455 ' CG ' HG22 ' A' ' 13' ' ' THR . 4.0 mttt -127.07 144.82 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 32.5 m -135.42 165.02 26.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.496 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 6.6 m-20 -74.19 167.17 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.74 -35.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.48 143.75 48.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.87 9.27 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.72 -4.96 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 124.85 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.496 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.7 p90 -128.74 152.3 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -136.53 -178.82 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -87.95 151.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -71.23 109.09 4.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.11 167.33 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.149 3.096 . . . . 0.0 120.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.05 136.64 58.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.64 -26.16 25.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.472 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -94.66 160.8 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -145.62 -44.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 5.6 mt -100.31 162.82 12.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -104.83 146.28 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -132.75 138.01 47.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' CG ' HG11 ' A' ' 52' ' ' VAL . 7.4 ptmt -131.78 109.77 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.56 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 11.1 mtt -96.6 153.9 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 33' ' ' PRO . 12.2 m-85 -145.38 137.26 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.414 ' N ' HG12 ' A' ' 34' ' ' VAL . 5.8 mtp -74.45 155.95 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 16.7 mmm -64.29 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -64.6 -89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.14 70.72 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 27' ' ' MET . 16.0 mt -73.53 -6.8 48.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.479 HG21 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.72 -21.77 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CG1' HG21 ' A' ' 31' ' ' THR . 0.8 OUTLIER -133.01 132.98 22.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . 26.7 Cg_endo -55.44 168.49 1.47 Allowed 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 26' ' ' MET . 6.9 p -123.77 -35.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -137.26 138.64 40.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -148.74 118.68 7.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.19 -159.15 21.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.5 m -119.14 157.33 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 1.1 tt -155.77 165.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.46 -46.5 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.66 130.19 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -71.67 131.63 85.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HG2' ' CE ' ' A' ' 24' ' ' MET . 3.7 Cg_exo -76.05 164.19 31.84 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 10.1 mttt -75.31 145.51 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -84.41 149.54 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.9 p -120.75 174.53 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.5 mt -84.19 8.28 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.3 mt -111.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG21 ' CE1' ' A' ' 51' ' ' TYR . 3.4 m -128.78 153.53 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -112.52 149.13 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CE1' HG21 ' A' ' 49' ' ' VAL . 20.5 m-30 -122.86 146.29 47.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 HG11 ' CG ' ' A' ' 23' ' ' LYS . 2.4 t -134.48 134.22 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 m -96.31 159.03 15.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.2 p -165.26 133.25 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.443 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -108.05 3.37 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -94.37 165.55 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 33.0 m-20 -79.63 161.98 25.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 13.5 mtm180 38.03 39.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -84.84 -49.56 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.427 ' HG3' ' CG2' ' A' ' 13' ' ' THR . 0.3 OUTLIER -125.9 143.2 51.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -137.56 172.3 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 108.325 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.7 m-20 -75.03 156.85 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.4 mmpt? -96.44 -169.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.26 -47.68 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 t -97.51 109.97 52.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.6 Cg_exo -60.03 12.3 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.5 tt -94.26 -7.85 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.1 138.74 16.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.479 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.3 p90 -123.16 156.3 35.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -136.44 -174.07 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.427 ' CG2' ' HG3' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -84.95 151.76 23.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.17 124.57 91.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 108.322 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -48.62 166.76 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.3 144.11 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 -26.32 8.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 165.01 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -145.63 -42.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 176.5 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.446 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 23.5 m -101.78 144.41 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 24' ' ' MET . 2.1 t80 -136.29 136.05 39.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.579 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -132.12 161.34 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 22' ' ' TYR . 5.9 mtp -136.21 130.59 33.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 9.0 m-85 -127.73 143.08 51.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 61.9 mtp -74.34 157.07 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 mmt -63.63 -35.2 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -66.09 -101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -76.46 85.0 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 26' ' ' MET . 3.8 mt -73.71 -15.71 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -87.17 7.24 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mm -139.9 94.67 8.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.28 152.18 8.59 Favored 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 4.4 p -110.7 -43.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -138.75 144.3 39.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -149.68 137.06 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.83 -150.22 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 57.5 m -122.49 163.82 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -155.63 164.62 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -91.77 -52.55 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 1.6 t -111.34 140.86 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.1 t -76.65 108.71 6.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 6.4 Cg_exo -72.99 162.45 40.96 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -75.44 142.79 42.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.3 163.66 18.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -120.92 173.81 7.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.078 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 2.54 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -104.3 -52.69 2.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.462 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.1 m -130.29 162.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.69 138.15 52.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 20.3 m-30 -104.49 141.31 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.46 136.01 55.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 40.5 m -117.88 147.39 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -148.0 142.67 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.81 7.14 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -94.28 160.45 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.12 161.03 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 57.5 mtm180 36.37 37.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -85.6 -49.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -113.17 144.33 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 5.7 m -136.02 166.04 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -80.42 156.84 26.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -169.83 2.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -43.29 -47.47 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 t -97.3 109.81 51.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.4 Cg_exo -60.06 10.25 0.06 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pp -95.08 -3.87 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 137.32 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 26.0 p90 -130.93 159.14 38.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.6 -159.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 142.82 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 72.3 m -69.4 109.39 4.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 108.239 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.45 176.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.87 136.99 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.29 -27.69 18.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -94.67 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -145.49 -44.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mt -99.78 167.54 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.6 m -112.43 147.45 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -134.1 144.39 48.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' HE3' ' CE1' ' A' ' 25' ' ' PHE . 2.3 ptmt -138.8 116.11 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.578 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 65.9 mtp -94.32 139.92 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.562 ' CD2' ' HA ' ' A' ' 33' ' ' PRO . 90.9 m-85 -136.2 139.98 43.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.506 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 54.4 mtp -74.91 159.01 32.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 mmt -64.11 -37.35 87.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.459 ' HG ' ' N ' ' A' ' 29' ' ' ASP . 27.0 t -65.34 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' N ' ' HG ' ' A' ' 28' ' ' SER . 11.7 t0 -75.45 76.98 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.506 ' CD2' ' O ' ' A' ' 26' ' ' MET . 15.6 mt -69.94 -8.41 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.57 -28.29 24.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.8 121.26 43.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . 43.0 Cg_endo -63.36 161.85 29.38 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.487 ' O ' ' CD ' ' A' ' 35' ' ' LYS . 6.3 p -114.99 -34.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' CD ' ' O ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -142.92 137.33 29.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.379 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -145.36 111.41 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.79 -153.92 7.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 m -116.82 162.7 17.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.481 ' CG2' ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -155.41 157.84 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -82.07 -42.73 18.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' O ' ' CG2' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -124.68 164.92 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.9 t -75.18 129.24 83.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.504 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 11.1 Cg_exo -69.61 177.32 5.59 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 54.8 mttt -72.71 -178.75 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.566 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 57.5 m-80 -154.07 131.35 11.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.4 p -125.58 176.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -84.91 7.6 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.4 mt -108.68 -49.11 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.75 135.16 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -103.17 145.23 30.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.9 m-85 -118.0 140.86 49.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -134.44 121.9 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.408 ' SG ' ' CD ' ' A' ' 43' ' ' PRO . 60.5 m -98.35 154.42 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 p -151.65 146.67 25.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -113.16 6.93 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 74.4 p -94.71 162.24 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -76.58 157.82 31.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 89.2 mtt180 37.68 43.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 30.7 p -85.34 -49.51 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 4.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.09 143.97 45.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 8.2 m -136.31 162.99 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.208 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-80 -76.18 157.77 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -95.78 -169.93 2.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 7.7 tp -43.34 -48.53 6.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.5 t -96.86 110.41 53.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 26.4 Cg_exo -59.82 9.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.152 3.097 . . . . 0.0 120.152 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -93.36 -4.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.14 133.56 12.73 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -124.06 159.55 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -135.64 -162.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.42 144.89 31.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 80.1 m -64.61 108.53 2.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.226 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -47.95 174.6 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.35 137.99 57.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.53 -29.01 8.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 6.1 mptt -90.77 155.05 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -145.69 -44.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 19.1 mt -100.52 161.13 13.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -104.53 145.38 30.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.47 142.94 50.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -137.13 122.82 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.583 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.6 mtp -110.56 149.2 30.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.8 m-85 -135.11 152.26 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.519 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 47.9 mtp -78.18 162.84 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mmm -62.87 -37.18 85.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -65.91 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' OD2' ' CD1' ' A' ' 32' ' ' ILE . 13.9 t0 -75.98 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 26' ' ' MET . 7.3 mt -69.35 -9.84 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.233 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.403 ' O ' ' HD3' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -86.05 -28.29 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' CD1' ' OD2' ' A' ' 29' ' ' ASP . 10.8 mt -101.94 108.3 55.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.446 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 50.2 Cg_exo -49.59 163.28 0.47 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.487 HG11 ' CG ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -127.47 -39.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' CG ' HG11 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.33 134.99 46.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NH2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -146.69 109.52 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.363 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.83 -169.14 26.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.7 m -113.12 153.65 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.482 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 7.8 tt -156.15 169.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -82.91 -46.03 13.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -125.52 141.28 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.437 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -75.27 136.74 72.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.593 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 4.5 Cg_exo -76.48 165.54 28.92 Favored 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -75.8 144.29 41.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 9.9 m-80 -85.67 145.26 27.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -120.16 175.69 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt -84.72 8.44 17.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -108.68 -54.62 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.528 HG21 ' CE1' ' A' ' 51' ' ' TYR . 2.9 m -131.21 143.93 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -98.69 136.7 38.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD2' ' HB2' ' A' ' 43' ' ' PRO . 5.0 m-85 -104.67 143.81 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.59 152.14 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.9 m -112.21 159.88 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 108.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.1 p -165.15 125.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -99.67 4.78 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -93.53 163.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 2.0 m-20 -81.94 163.96 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 54.6 mtm180 38.26 38.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 31.0 p -85.61 -49.6 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 108.256 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.465 ' CG ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -123.26 144.7 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.1 m -135.43 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 108.233 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.497 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-20 -79.56 171.38 15.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -95.09 -163.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tp -42.86 -35.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.34 145.62 56.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.61 9.9 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -93.7 -6.1 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.95 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.7 p90 -126.78 150.65 49.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 -174.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.465 ' HA ' ' CG ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -97.72 150.33 21.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.455 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 91.7 m -73.11 108.64 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.259 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 19.4 Cg_endo -48.24 169.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.185 3.11 . . . . 0.0 120.185 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -58.98 139.82 56.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.88 9.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.5 mttp -97.81 163.32 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -145.55 -43.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.23 169.04 10.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' SG ' ' OD1' ' A' ' 60' ' ' ASN . 15.5 m -103.86 146.46 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -123.05 150.22 43.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.595 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -134.03 115.86 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.415 ' O ' HG21 ' A' ' 34' ' ' VAL . 82.6 mtp -99.17 127.16 45.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.595 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.9 m-85 -132.13 151.35 51.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.479 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 38.0 mtp -84.94 159.1 20.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.6 mmm -64.8 -36.08 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.992 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -76.93 82.76 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.81 -10.19 59.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.78 31.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.7 mt -114.38 98.87 50.02 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.445 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 51.0 Cg_exo -48.48 150.8 5.39 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -105.42 -46.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -142.94 152.23 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 11.4 mtm180 -151.71 127.95 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.24 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -164.39 -147.94 5.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 m -124.41 163.77 21.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -152.44 164.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.92 -40.67 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -125.52 143.66 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.0 t -64.67 107.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 18.4 Cg_exo -64.2 153.49 76.12 Favored 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 135.67 40.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -85.44 153.67 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -116.78 178.11 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.83 7.88 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.59 -55.01 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.579 HG13 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.57 145.56 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -105.94 138.69 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CE1' HG13 ' A' ' 49' ' ' VAL . 7.0 m-85 -108.29 126.53 52.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.31 172.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -144.37 147.09 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.341 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 p -153.72 134.61 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.88 8.13 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.382 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -94.15 166.87 11.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.27 160.45 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 38.91 36.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p -85.09 -48.81 8.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.94 142.71 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.5 m -137.35 162.4 33.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.431 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.78 163.66 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.92 -163.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -42.43 -33.09 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 1.9 t -134.57 141.1 37.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.4 Cg_exo -61.58 9.35 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -95.51 -3.79 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.64 129.8 10.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.431 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -133.91 153.36 51.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' CD ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.79 -171.72 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.81 145.87 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.0 m -75.33 110.9 11.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.44 165.58 0.16 Allowed 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -59.92 139.35 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -28.66 14.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.48 117.9 24.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -111.64 -8.98 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.1 mt -99.17 159.17 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 m -112.1 145.56 39.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.441 ' CE2' ' HE2' ' A' ' 24' ' ' MET . 6.0 p90 -135.78 152.78 51.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.31 123.32 12.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.572 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 51.8 mtt -97.13 139.32 33.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.453 ' CD2' ' HA ' ' A' ' 33' ' ' PRO . 49.2 m-85 -133.68 147.65 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.46 ' CG ' HG21 ' A' ' 34' ' ' VAL . 60.5 mtm -76.07 156.06 34.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.508 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -63.51 -38.89 92.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 t -69.04 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.463 ' OD2' ' CD1' ' A' ' 32' ' ' ILE . 21.0 t0 -75.69 75.65 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CD1' ' O ' ' A' ' 27' ' ' MET . 0.8 OUTLIER -73.23 -12.77 60.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.41 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 3.9 t -85.59 5.6 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 ' CD1' ' OD2' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -139.77 125.1 11.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HA ' ' CD2' ' A' ' 25' ' ' PHE . 42.8 Cg_endo -63.21 160.31 35.26 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -120.16 -41.32 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.64 151.86 49.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.373 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -148.96 111.68 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.32 -158.02 9.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.7 m -125.14 156.5 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.09 177.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -45.29 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -119.27 152.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.464 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -75.14 110.74 10.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 21.1 Cg_exo -63.45 152.51 79.77 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.69 131.49 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -86.06 160.53 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -123.79 177.12 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -85.84 12.98 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.0 mt -115.28 -54.09 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.568 HG11 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.61 142.18 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -102.56 137.48 40.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.572 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.5 m-85 -109.67 124.88 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.8 t -106.68 161.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.84 161.8 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -161.7 158.53 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -125.32 0.85 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -94.12 164.19 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -77.38 161.11 28.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 65.1 mtp180 36.96 42.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -84.61 -50.19 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.442 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 30.5 mttt -118.86 144.17 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -136.0 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -78.16 165.94 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.93 -157.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -37.51 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.434 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.56 144.83 52.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.83 9.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.9 OUTLIER -95.18 -4.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.34 119.06 5.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.8 p90 -127.02 151.49 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.56 -166.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.442 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.38 141.32 36.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 57.9 m -64.8 108.19 1.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.7 Cg_endo -48.99 171.29 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.81 137.46 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.41 -32.65 7.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -95.18 163.87 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.06 -42.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.6 167.79 10.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 10.8 m -103.94 145.35 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -132.09 151.04 51.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.61 129.9 19.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 3.9 mtm -112.56 141.07 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -139.2 152.73 47.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.509 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 8.7 mtt -76.62 159.28 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.8 mmt -63.91 -36.35 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 t -70.72 -98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -75.14 87.17 2.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 26' ' ' MET . 4.4 mt -75.85 -13.08 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -6.06 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -119.69 93.26 47.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -50.38 153.43 7.3 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 120.128 3.088 . . . . 0.0 120.128 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -116.15 -39.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' CB ' ' HE3' ' A' ' 24' ' ' MET . 5.4 mmtp -135.84 136.26 40.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -149.27 113.66 5.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.23 2.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.5 m -130.84 162.81 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -151.62 168.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.1 -40.73 8.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.54 150.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -75.57 111.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.265 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.66 160.3 37.01 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -75.08 136.56 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.592 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 13.2 m-80 -86.0 149.98 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -120.07 170.99 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.5 11.21 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 3.3 mp -115.34 -46.96 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.411 ' CG2' ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -130.44 153.32 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 144.38 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.236 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.592 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 2.9 m-85 -118.98 140.12 50.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.15 140.65 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -114.11 160.11 19.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 108.289 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -160.35 133.09 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 5.86 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 p -94.28 160.17 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -81.37 162.55 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 43.4 mtm180 37.53 36.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.87 -48.77 8.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -121.23 144.78 48.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -135.32 175.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 108.386 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.492 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -82.41 167.49 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -94.6 -162.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -42.34 -35.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.4 143.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.7 10.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -93.12 -7.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.03 123.69 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.492 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.9 p90 -126.41 151.46 47.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.29 -175.05 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.65 145.75 24.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.448 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 99.1 m -66.92 108.83 2.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 108.241 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.452 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 19.2 Cg_endo -48.41 169.88 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -64.65 129.93 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.58 -24.49 21.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -128.88 130.05 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -117.18 -28.94 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.07 158.23 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -104.57 145.61 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.531 ' CE2' ' HE1' ' A' ' 24' ' ' MET . 2.7 p90 -135.68 149.06 49.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HE2' ' CG1' ' A' ' 52' ' ' VAL . 0.3 OUTLIER -145.89 113.8 6.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.243 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.531 ' HE1' ' CE2' ' A' ' 22' ' ' TYR . 28.4 mtt -99.43 146.59 26.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.489 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 20.3 m-85 -138.59 147.15 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.515 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 81.0 mtp -75.02 154.91 37.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 20.0 mmm -64.41 -38.99 92.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -75.35 -79.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.68 68.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 26' ' ' MET . 20.7 mt -73.54 -13.69 61.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.46 ' O ' ' CD1' ' A' ' 32' ' ' ILE . 1.6 t -86.28 6.27 30.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.364 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -148.95 136.52 11.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 4.7 Cg_exo -76.71 159.3 35.22 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.088 3.072 . . . . 0.0 120.088 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.489 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -115.41 -36.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -137.68 131.04 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.2 103.29 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.47 -134.97 1.8 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 33.4 m -137.36 164.18 29.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' N ' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -154.47 171.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -101.32 -31.96 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.58 146.49 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.5 t -76.24 111.53 15.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.5 Cg_exo -63.95 152.44 80.84 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -74.97 140.06 43.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.9 152.05 23.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -124.34 168.94 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.08 3.1 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.7 mt -103.65 -51.17 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 51' ' ' TYR . 3.0 m -130.96 165.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -124.52 139.91 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 3.9 m-85 -114.24 141.93 46.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' CG1' ' HE2' ' A' ' 23' ' ' LYS . 2.6 t -134.31 121.61 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 m -94.35 164.67 12.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -164.09 137.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.236 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.402 ' ND2' HG22 ' A' ' 56' ' ' THR . 0.5 OUTLIER -101.17 4.65 42.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.402 HG22 ' ND2' ' A' ' 55' ' ' ASN . 48.5 p -93.81 167.95 11.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.29 163.79 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 37.9 37.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.3 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.403 ' O ' ' SD ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -114.52 143.5 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m -136.21 163.43 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.493 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -78.79 157.01 28.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -96.38 -167.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.6 tp -43.27 -49.0 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.391 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.61 109.81 50.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.8 Cg_exo -60.05 10.45 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.137 3.091 . . . . 0.0 120.137 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -94.55 -4.48 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.46 134.97 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 51.3 p90 -127.36 156.94 41.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -136.35 -178.86 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -84.78 141.68 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 99.6 m -66.18 110.07 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 108.273 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.07 174.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.65 140.11 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.01 -31.26 6.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 160.92 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -145.62 -43.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.12 171.85 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 2.6 m -103.4 147.76 26.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 108.266 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.504 ' CD1' ' HE2' ' A' ' 24' ' ' MET . 0.5 OUTLIER -132.23 145.72 51.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.49 125.5 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 38.5 mtt -112.05 139.38 47.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -132.53 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.402 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 35.7 mtp -76.24 159.15 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -63.65 -37.07 85.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 t -68.66 -98.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -76.13 83.59 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -13.19 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.9 p -86.27 -2.12 58.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -129.49 100.4 19.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.426 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 52.8 Cg_exo -50.17 151.12 9.6 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -111.37 -39.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -136.91 139.15 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' NH1' ' HG2' ' A' ' 33' ' ' PRO . 19.2 mtp180 -146.22 124.99 12.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.47 -158.97 21.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 79.6 m -110.79 164.46 12.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -154.72 166.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.39 -41.52 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.98 142.83 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.1 t -75.78 110.84 11.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -65.3 161.65 36.82 Favored 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.075 3.067 . . . . 0.0 120.075 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -74.78 135.64 41.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.579 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 6.2 m-80 -85.95 150.2 24.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -120.53 174.66 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.44 10.69 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.36 -50.92 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.514 HG13 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.47 146.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -106.22 147.37 29.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 3.9 m-85 -120.0 137.84 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.24 120.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 10.5 m -106.09 153.26 22.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 108.304 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.0 p -150.67 148.13 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 108.231 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.596 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -108.18 12.75 26.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -94.11 159.41 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -77.74 148.3 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.6 mtp180 36.36 45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.55 -51.45 8.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.48 ' OD1' ' HB3' ' A' ' 21' ' ' CYS . 1.5 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HG2' ' CA ' ' A' ' 13' ' ' THR . 2.6 mtmt -114.35 143.71 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.45 163.98 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.442 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.7 m120 -74.39 154.84 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -168.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.407 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.04 -48.41 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.9 t -97.31 110.09 52.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.8 Cg_exo -60.21 11.58 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -5.76 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.17 138.88 17.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 21.3 p90 -125.85 162.15 25.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.28 -168.68 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.464 ' CA ' ' HG2' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -105.83 140.77 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 71.3 m -75.1 110.01 9.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -48.09 169.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.43 141.93 58.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.0 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -145.28 85.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.7 t30 -101.21 6.27 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 mt -88.81 152.59 21.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.248 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.8 m -106.32 142.59 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -135.38 155.74 50.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 127.34 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -114.09 141.75 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.943 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -134.69 156.09 49.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 68.0 mtp -79.04 161.25 26.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.3 mmt -64.72 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -71.58 -97.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 5.5 t0 -73.54 81.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.8 -14.46 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.439 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 5.2 t -86.49 4.67 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mm -129.9 96.21 26.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -45.7 155.02 0.55 Allowed 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -118.3 -41.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.513 ' C ' ' HG2' ' A' ' 36' ' ' ARG . 15.8 mttt -136.55 133.37 36.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.513 ' HG2' ' C ' ' A' ' 35' ' ' LYS . 2.8 mmm180 -142.23 121.02 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.83 -162.47 27.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.7 m -108.64 154.53 21.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 tt -145.79 174.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -100.85 -53.68 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.15 148.72 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.507 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.9 t -75.41 121.71 85.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 5.9 Cg_exo -73.46 154.93 50.69 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.54 135.7 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.546 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 m-80 -85.49 155.41 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 p -124.55 174.65 7.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.1 7.47 18.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' MET . 13.6 mt -108.17 -50.72 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.531 HG22 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -130.47 156.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.82 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.58 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.8 m-85 -111.16 138.82 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.28 122.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -103.9 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 108.276 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -163.66 146.99 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.88 9.25 20.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 p -93.33 160.89 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.3 m-20 -77.78 154.54 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASP . 40.3 mtm180 37.0 44.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p -85.41 -49.68 7.91 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.102 . . . . 0.0 108.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.405 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.0 143.82 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.4 m -136.29 164.01 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -70.77 149.69 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -96.22 -163.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -42.96 -49.13 6.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.249 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 0.4 OUTLIER -97.25 109.8 51.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 24.7 Cg_exo -60.59 9.64 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.139 0 N-CA-C 120.168 3.103 . . . . 0.0 120.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -96.01 -3.13 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.06 138.15 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -120.93 161.92 20.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -135.77 178.4 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.64 151.29 24.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.492 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 95.3 m -74.95 108.82 6.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.13 171.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.25 137.57 58.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.44 -30.28 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' CE ' ' HG2' ' A' ' 15' ' ' PRO . 9.2 mtmt -103.21 155.51 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -145.66 -42.4 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.24 165.44 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.477 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 8.5 m -105.33 142.64 34.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -136.73 158.53 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.44 142.13 25.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 mtm -121.1 130.69 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 5.5 m-85 -132.81 158.04 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.462 ' HA ' ' CG2' ' A' ' 49' ' ' VAL . 52.9 mtm -83.68 155.24 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -64.17 -33.81 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -73.46 -98.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.479 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 12.7 t0 -73.64 77.93 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -71.71 -16.15 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.479 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -86.55 11.74 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 32' ' ' ILE . 0.7 OUTLIER -140.62 92.73 8.9 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 161.83 6.38 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.507 HG23 ' CG ' ' A' ' 35' ' ' LYS . 6.3 m -124.76 -42.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.9 mttp -131.17 138.64 49.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' NH1' ' HA ' ' A' ' 60' ' ' ASN . 40.3 mtt-85 -155.25 112.87 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.81 -143.66 3.76 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 59.7 m -117.81 166.4 12.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.61 170.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -45.16 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -124.67 147.72 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -70.88 109.78 5.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.67 155.5 62.89 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 134.26 43.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.584 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 17.1 m-80 -86.03 157.26 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -121.46 173.52 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.888 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.26 13.74 7.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 -49.17 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -129.71 155.8 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.94 153.61 28.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.6 ' CE1' HG12 ' A' ' 49' ' ' VAL . 2.5 m-85 -131.99 124.17 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.553 HG22 ' CE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -107.68 149.55 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -124.88 155.14 39.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 108.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 p -155.83 167.24 31.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -127.75 2.27 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.3 p -94.4 166.74 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.0 m-20 -82.15 162.93 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' ASP . 23.8 mtm180 36.99 35.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.8 p -85.92 -49.86 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 108.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.485 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.422 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -116.15 143.67 45.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -136.18 164.03 29.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.538 1.148 . . . . 0.0 108.253 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.455 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -75.59 165.67 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.63 -158.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -37.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.428 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 7.3 t -137.0 146.28 54.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.7 Cg_exo -61.0 14.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.64 -7.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.06 127.77 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.455 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.4 p90 -132.3 150.3 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.59 178.54 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.46 149.23 25.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -73.92 120.25 80.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 17.7 Cg_endo -47.65 175.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.255 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.41 137.65 58.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.39 0.32 66.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.78 104.91 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -111.2 -18.38 12.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.07 163.83 16.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.9 m -119.77 141.01 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -136.55 151.26 49.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -148.35 125.1 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.593 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 67.5 mtp -94.44 141.46 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.583 ' CZ ' ' HB3' ' A' ' 33' ' ' PRO . 50.4 m-85 -134.94 135.42 41.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 mtp -74.84 158.28 33.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -63.15 -35.41 80.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 29' ' ' ASP . 29.1 t -64.08 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' N ' ' HG ' ' A' ' 28' ' ' SER . 12.9 t0 -75.89 79.35 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.5 -8.99 57.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.03 -24.78 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -113.95 121.03 37.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.583 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 42.4 Cg_endo -63.22 161.92 28.62 Favored 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.169 3.103 . . . . 0.0 120.169 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' CG1' ' O ' ' A' ' 24' ' ' MET . 5.6 p -113.69 -36.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 34' ' ' VAL . 16.1 mmtp -138.33 146.94 42.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -151.45 111.92 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.237 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.23 -149.35 5.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -129.47 160.65 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.79 -179.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -100.67 -46.27 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -124.25 158.96 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' N ' ' CG1' ' A' ' 41' ' ' VAL . 3.6 t -71.47 111.29 9.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 22.2 Cg_exo -62.68 174.42 2.92 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 20.1 mttt -67.83 176.65 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.531 ' HA ' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -153.21 140.26 19.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -118.23 178.11 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -84.39 6.9 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 mt -108.06 -49.09 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.5 m -127.56 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -111.78 144.9 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.4 m-85 -113.49 122.87 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.093 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.19 115.57 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 m -94.13 161.28 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -161.99 158.13 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.449 ' ND2' HG23 ' A' ' 56' ' ' THR . 0.5 OUTLIER -125.8 3.89 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 HG23 ' ND2' ' A' ' 55' ' ' ASN . 52.8 p -93.95 161.93 14.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -75.14 157.31 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER 37.96 44.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.6 p -85.63 -49.54 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.235 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.7 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -116.18 143.5 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.59 172.43 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.249 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 m-20 -81.37 165.42 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -93.65 -161.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.71 -35.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.377 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.49 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 t -134.2 141.86 40.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.49 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.1 Cg_exo -61.64 10.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.053 3.059 . . . . 0.0 120.053 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -92.45 -8.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.22 121.66 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.3 p90 -122.2 154.42 37.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -135.92 -166.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.81 150.25 25.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 58.2 m -75.43 108.44 5.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 18.5 Cg_endo -48.91 177.95 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 120.046 3.056 . . . . 0.0 120.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.9 138.82 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.46 -29.28 9.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.7 mttt -87.24 157.03 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -145.65 -45.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.71 167.6 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 6.3 m -104.43 146.35 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -134.68 137.14 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.591 ' HE3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -134.82 123.02 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.243 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.458 ' O ' ' CG1' ' A' ' 34' ' ' VAL . 3.2 mtt -105.53 126.8 52.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CE2' ' HE3' ' A' ' 23' ' ' LYS . 9.3 m-30 -115.03 134.19 55.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.532 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 22.7 mtp -74.74 149.7 39.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -70.44 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.466 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 10.1 t0 -75.06 81.55 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 26' ' ' MET . 11.9 mt -75.35 -15.17 60.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.466 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -87.05 2.28 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.42 ' HB ' ' CG ' ' A' ' 29' ' ' ASP . 3.0 mm -144.72 105.51 4.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 50.1 Cg_exo -49.34 164.53 0.3 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.479 ' CG1' ' HG3' ' A' ' 26' ' ' MET . 3.3 p -121.72 -38.22 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -136.58 133.95 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.79 108.94 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.4 -139.93 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 34.4 m -129.92 162.78 27.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.433 ' CA ' ' HG2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -151.64 167.12 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -37.79 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.94 132.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.5 t -64.32 107.48 1.38 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 108.276 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -64.61 154.55 71.57 Favored 'Trans proline' 0 CA--C 1.567 2.134 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 49.2 mttt -75.66 135.03 40.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -82.0 163.16 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -129.12 -179.82 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.8 mt -84.97 4.8 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.18 -53.37 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.506 HG22 ' CE1' ' A' ' 51' ' ' TYR . 1.7 p -130.51 141.1 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 131.52 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.506 ' CE1' HG22 ' A' ' 49' ' ' VAL . 12.3 m-85 -104.75 121.34 43.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.15 115.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -94.03 145.75 24.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.088 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -147.37 165.58 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.16 6.1 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -95.13 162.63 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -77.19 155.56 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtm180 38.32 40.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -84.57 -48.23 9.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.4 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.405 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 143.36 45.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -136.57 166.25 23.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.329 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.471 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -76.63 154.54 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' HG3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.87 -169.16 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.31 -47.27 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.8 t -97.45 109.59 50.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.2 Cg_exo -60.15 10.34 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.123 3.086 . . . . 0.0 120.123 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG12 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -94.85 -4.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 139.41 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.3 p90 -130.76 157.52 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' CD ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.75 -166.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.85 144.22 29.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.48 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 77.9 m -64.52 108.1 1.76 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.4 Cg_endo -48.9 170.36 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.04 133.73 55.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.4 -15.04 46.83 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 160.92 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -145.4 -41.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.51 157.74 28.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.9 144.03 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 9.5 p90 -131.59 141.68 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -129.44 123.79 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.482 ' CG ' ' HB2' ' A' ' 35' ' ' LYS . 4.6 mtt -103.15 130.11 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 41.6 m-85 -127.35 151.08 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 62.7 mtp -82.3 163.76 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt -64.67 -38.33 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.468 ' HG ' ' N ' ' A' ' 29' ' ' ASP . 29.7 t -71.17 -98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' N ' ' HG ' ' A' ' 28' ' ' SER . 5.4 t0 -76.09 84.96 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -11.92 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.99 -13.89 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.8 mt -111.82 102.8 54.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -49.94 144.79 20.5 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.463 HG22 ' CE ' ' A' ' 35' ' ' LYS . 6.2 p -109.08 -38.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.482 ' HB2' ' CG ' ' A' ' 24' ' ' MET . 8.3 mmtt -140.47 145.7 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -146.6 127.79 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.592 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.78 -165.78 33.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.8 m -120.76 165.02 15.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -155.11 -179.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.21 -52.02 3.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -107.95 153.74 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -75.46 109.79 8.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 15.6 Cg_exo -66.1 151.89 82.61 Favored 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -74.67 139.42 43.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -85.52 167.22 15.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -120.97 174.32 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 mt -84.44 7.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.74 -48.76 2.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.576 HG22 ' CE1' ' A' ' 51' ' ' TYR . 3.2 m -130.71 161.61 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -122.79 143.91 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CE1' HG22 ' A' ' 49' ' ' VAL . 13.3 m-85 -116.89 120.48 38.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -107.72 136.17 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -101.15 154.03 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.67 130.31 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -95.72 9.76 39.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 22.2 p -94.79 160.92 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.5 159.92 22.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.2 mtp180 37.0 39.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.32 -46.38 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . 0.438 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.482 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.4 OUTLIER -121.06 143.56 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.5 m -136.64 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.53 155.26 38.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -96.2 -167.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.27 -48.27 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 9' ' ' ILE . 2.0 t -97.27 109.68 50.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.2 Cg_exo -60.16 10.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.17 3.104 . . . . 0.0 120.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 7' ' ' VAL . 4.6 tp -94.93 -5.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.23 137.68 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 23.3 p90 -126.23 156.76 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.07 -174.35 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.41 145.16 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 83.2 m -74.19 130.15 83.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 16.3 Cg_endo -47.66 165.22 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.62 137.52 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 -22.4 16.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -114.56 108.58 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.81 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -111.23 -3.8 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 20' ' ' LEU . 36.3 mt -100.44 151.76 21.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.1 m -105.41 144.28 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 7.8 p90 -135.46 153.08 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 127.05 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 26.7 mtp -112.1 145.57 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.1 m-85 -134.3 132.08 39.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.529 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 60.7 mtp -76.56 157.71 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.22 -33.26 75.1 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -96.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 32' ' ' ILE . 19.1 t0 -75.42 76.36 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 26' ' ' MET . 25.7 mt -73.68 -10.47 59.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.635 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.97 -18.95 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.635 ' CG1' HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -132.58 114.42 14.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.232 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 66.7 Cg_exo -45.91 167.74 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 26' ' ' MET . 4.9 p -118.12 -33.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HG3' ' HE2' ' A' ' 24' ' ' MET . 8.1 mmtt -139.04 143.58 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -153.95 112.23 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' TYR . . . -165.61 -151.52 6.72 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 8.7 m -123.09 157.19 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -149.52 174.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' CG ' HG23 ' A' ' 41' ' ' VAL . 8.7 p-10 -100.7 -52.6 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG23 ' CG ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -108.15 150.07 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 t -75.81 117.25 62.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.221 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 8.3 Cg_exo -70.87 150.8 62.05 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.108 3.08 . . . . 0.0 120.108 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.35 133.78 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.507 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -85.37 153.75 22.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -121.47 174.61 6.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.6 5.94 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -51.15 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -129.75 150.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -109.84 134.08 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.653 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.6 m-85 -104.89 139.76 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.9 t -134.56 132.53 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -105.54 160.89 14.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 108.303 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -161.55 139.76 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.55 7.95 35.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.9 p -94.2 163.95 13.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 158.34 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 39.22 40.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -85.32 -47.07 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 143.91 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -135.89 167.24 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -78.3 166.96 22.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -95.57 -160.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -42.55 -36.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.652 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.66 146.05 57.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.652 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.1 Cg_exo -61.42 9.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -94.37 -5.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 122.32 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 54.1 p90 -124.83 150.34 46.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -136.58 -177.56 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.238 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 146.7 23.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.2 m -72.8 109.05 5.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 108.362 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.03 165.01 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.1 122.86 17.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 120.06 -15.07 10.27 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 127.65 21.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.85 -14.91 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -100.76 155.85 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 9.1 m -104.74 142.6 34.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.5 p90 -136.64 151.25 49.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -143.66 128.38 18.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 44.5 mtm -100.71 128.85 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 27.5 m-85 -121.07 140.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 46.6 mtp -78.94 154.07 29.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.448 ' HA ' HD21 ' A' ' 30' ' ' LEU . 6.6 mmt -64.14 -35.16 79.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -68.98 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' OD1' HG22 ' A' ' 31' ' ' THR . 19.0 t0 -75.54 81.48 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -74.74 -14.6 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.534 HG22 ' OD1' ' A' ' 29' ' ' ASP . 3.1 t -86.17 2.79 45.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.8 mt -140.31 100.32 7.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.61 152.62 4.03 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.445 HG22 ' CG ' ' A' ' 35' ' ' LYS . 2.3 p -107.87 -43.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' CG ' HG22 ' A' ' 34' ' ' VAL . 5.8 mttm -140.38 146.17 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' CB ' ' A' ' 23' ' ' LYS . 43.0 mtt180 -152.66 127.61 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.58 -145.68 4.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 22.5 m -129.87 161.46 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -154.73 176.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 1.3 t0 -100.3 -48.42 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -110.62 146.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.46 110.83 11.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 20.8 Cg_exo -63.63 151.5 84.74 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.33 141.52 47.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -85.9 156.61 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -121.84 172.8 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 2.28 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.1 mm? -105.41 -55.56 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.48 162.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.97 139.63 50.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 4.6 m-85 -104.91 123.78 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.461 HG11 ' HE2' ' A' ' 23' ' ' LYS . 2.9 t -106.67 157.24 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 m -137.71 160.58 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 108.31 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 p -164.44 154.86 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.67 6.75 11.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 p -94.18 161.74 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -78.13 155.78 30.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtp180 38.09 41.16 0.36 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.392 1.058 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.69 -49.7 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.277 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 144.19 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.89 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -79.43 157.35 27.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -96.37 -169.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.57 -48.44 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.83 110.26 52.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.9 Cg_exo -60.11 10.85 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -94.95 -4.9 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 136.15 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.1 p90 -126.22 156.36 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.83 -170.56 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.16 147.96 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.7 m -69.48 109.1 3.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.3 Cg_endo -48.25 170.4 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 140.11 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.01 -29.33 11.4 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.04 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -145.5 -44.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -100.15 172.12 7.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 53.3 m -104.06 145.57 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 108.339 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.29 157.26 43.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.87 133.43 11.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.1 mtp -115.49 148.32 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -142.36 158.8 43.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.476 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 57.9 mtp -77.64 159.49 29.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.71 -34.83 78.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -72.7 -102.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' CG ' HG12 ' A' ' 32' ' ' ILE . 13.1 t0 -77.11 88.05 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -4.1 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.527 HG22 ' CD1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -85.56 -2.2 57.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' HG22 ' A' ' 31' ' ' THR . 0.7 OUTLIER -122.01 94.88 47.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -50.96 143.61 30.27 Favored 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.667 HG23 ' CG ' ' A' ' 35' ' ' LYS . 3.4 m -107.17 -37.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.667 ' CG ' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -131.76 136.42 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -146.46 108.49 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.86 -144.35 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 36.4 m -128.26 160.15 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.85 168.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -98.64 -36.64 9.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.56 144.1 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -75.47 111.33 13.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.275 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -63.67 160.18 37.65 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -75.43 141.24 43.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -85.49 149.47 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -118.35 170.57 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.4 mt -85.83 13.52 7.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.14 -43.75 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' PHE . 1.8 p -130.71 148.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' MET . 1.2 tttm -114.71 137.51 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -108.8 139.86 43.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -135.35 128.72 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.8 m -103.38 162.9 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 108.314 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.31 136.66 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.533 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -101.09 9.68 41.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.6 p -94.36 161.12 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.07 157.14 24.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.1 mtm180 38.39 39.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.236 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.3 p -84.61 -49.7 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.63 145.14 44.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -135.32 170.31 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.457 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -83.33 159.65 21.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -96.31 -169.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.37 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.81 -48.25 8.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.91 110.5 53.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.2 Cg_exo -59.84 10.11 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -94.89 -3.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.87 133.38 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.4 p90 -125.38 159.59 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -135.56 -171.19 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.4 139.86 33.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 74.4 m -66.72 114.46 17.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.1 Cg_endo -47.72 172.42 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.59 137.98 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.79 -23.24 17.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -121.29 103.36 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -107.19 -10.36 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -92.5 168.15 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.479 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 20.2 m -121.82 144.11 49.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -135.38 156.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 23.7 ttpt -153.37 123.32 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.699 ' O ' HG12 ' A' ' 34' ' ' VAL . 31.2 mtt -101.21 134.48 44.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 91.6 m-85 -121.95 131.29 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.558 ' HA ' HG22 ' A' ' 49' ' ' VAL . 51.4 mtp -83.43 156.65 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mmm -63.87 -33.92 76.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 t -64.25 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.77 71.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 26' ' ' MET . 24.6 mt -71.49 -6.47 40.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -85.44 -27.06 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.88 131.31 23.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 29.7 Cg_endo -56.79 168.25 2.48 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 24' ' ' MET . 3.3 p -116.51 -32.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -136.75 142.66 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -151.81 107.82 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 -157.43 8.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.53 159.37 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 2.9 tt -155.44 175.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -98.52 -42.52 7.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.6 t -117.97 159.87 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 t -75.86 124.55 88.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.7 Cg_exo -63.93 176.1 2.65 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 6.0 mtpm? -67.33 178.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 54.1 m-80 -154.19 128.51 9.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -126.57 172.62 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.941 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.8 -2.42 43.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -98.56 -49.35 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.27 131.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.09 162.05 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-85 -131.18 145.73 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.31 116.01 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.6 157.08 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 108.316 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.76 161.8 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.41 2.94 6.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -93.33 160.52 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.1 m-20 -74.23 157.82 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASP . 18.4 mtt180 37.69 42.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.6 p -85.11 -49.08 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.3 pp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.584 ' CG ' HG23 ' A' ' 13' ' ' THR . 1.6 mtmp? -122.84 143.41 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.76 158.88 43.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 108.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.6 m-20 -67.0 157.71 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.1 mmpt? -96.36 -168.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.84 -48.22 8.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' CG1' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -97.71 110.34 54.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.3 Cg_exo -59.89 13.15 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.55 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -94.8 -7.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 136.94 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 38.1 p90 -123.59 157.52 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -136.35 -169.59 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.584 HG23 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -92.11 145.55 24.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.461 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 62.8 m -67.98 126.55 92.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.28 169.66 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.75 137.11 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 -26.58 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 12.5 mmtt -91.4 150.32 21.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -145.72 -40.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 15.2 mt -84.67 152.83 23.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 9.9 m -104.63 143.78 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.4 p90 -134.8 158.23 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 24' ' ' MET . 0.3 OUTLIER -156.97 114.12 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.578 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.42 130.77 40.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 17.7 m-30 -116.24 135.67 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.539 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 6.5 mtt -74.9 151.78 38.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmm -62.28 -33.47 74.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 t -67.63 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.16 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.507 ' OD1' HG22 ' A' ' 31' ' ' THR . 13.0 t0 -75.5 80.5 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 26' ' ' MET . 18.0 mt -75.25 -14.88 60.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.36 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.507 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.6 t -86.83 1.51 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' HA ' HD13 ' A' ' 32' ' ' ILE . 3.9 mm -146.64 108.95 4.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 53.8 Cg_exo -47.38 170.93 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 24' ' ' MET . 2.7 p -127.37 -39.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -138.94 134.88 33.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH2' ' HA ' ' A' ' 60' ' ' ASN . 24.4 mtp85 -145.84 127.76 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.7 -174.24 45.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 11.7 m -110.21 156.03 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 tt -156.76 173.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -87.98 -45.31 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.9 118.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 108.294 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 3.6 Cg_exo -75.89 170.55 19.91 Favored 'Trans proline' 0 CA--C 1.569 2.235 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -75.77 143.4 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -85.45 151.1 24.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -125.24 171.73 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.1 mt -84.27 6.42 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -115.82 -45.5 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.591 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -131.11 130.5 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 138.31 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 49' ' ' VAL . 8.2 m-85 -104.57 122.22 45.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.71 121.33 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 m -96.6 160.63 14.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.1 p -165.22 137.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.4 p30 -107.17 5.76 28.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -94.38 161.17 14.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -79.35 161.81 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 mpt_? 38.2 37.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.5 p -85.14 -48.38 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 2.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.576 HD13 ' OD1' ' A' ' 57' ' ' ASP . 2.8 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -109.72 142.65 40.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 4.5 m -137.41 167.32 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.7 m-20 -80.24 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.03 -156.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -43.01 -36.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.735 HG13 ' HD2' ' A' ' 8' ' ' PRO . 7.8 t -139.97 147.94 52.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.735 ' HD2' HG13 ' A' ' 7' ' ' VAL . 24.2 Cg_exo -60.54 14.67 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.733 HG22 HG12 ' A' ' 7' ' ' VAL . 6.3 tp -94.99 -10.18 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 124.13 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.1 p90 -125.44 153.48 43.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -136.03 -170.78 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.17 142.61 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 98.5 m -67.0 109.07 2.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.307 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.15 173.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.44 136.5 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.94 -28.31 11.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 39' ' ' ILE . 16.3 mttt -107.52 118.46 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -110.89 -25.75 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -100.84 162.32 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -104.31 147.12 27.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.0 p90 -135.39 159.32 41.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -155.04 122.57 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.5 mtp -106.47 132.29 52.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 5.0 m-85 -128.5 163.25 25.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.627 ' HG3' HG11 ' A' ' 34' ' ' VAL . 35.1 mtp -85.48 157.92 20.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mmt -64.55 -35.7 81.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.5 t -71.23 -97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.083 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.952 ' OD2' HD12 ' A' ' 32' ' ' ILE . 15.9 t0 -75.71 80.33 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -15.71 61.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.536 HG22 ' OD1' ' A' ' 29' ' ' ASP . 3.9 t -86.27 8.17 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.952 HD12 ' OD2' ' A' ' 29' ' ' ASP . 2.5 mt -136.66 90.44 16.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 44.2 Cg_exo -52.25 154.92 10.1 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG23 ' HG3' ' A' ' 35' ' ' LYS . 11.1 m -116.93 -33.38 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.699 ' HG3' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -136.74 140.85 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -152.58 110.35 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.27 -142.11 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 27.7 m -132.07 163.6 28.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.417 ' N ' ' HB3' ' A' ' 18' ' ' LYS . 1.1 tt -153.28 172.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -100.84 -38.73 8.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -123.86 145.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.93 111.27 13.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.68 161.16 36.87 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.7 134.18 40.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 3.6 m-80 -85.51 154.18 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.0 p -122.92 175.04 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.17 8.59 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.37 -49.7 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.542 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -128.8 156.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -116.73 137.24 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.1 m-85 -107.39 138.98 42.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.81 129.03 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -108.83 162.56 14.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 108.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -158.31 162.13 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -126.35 2.46 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 p -93.54 160.63 14.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.576 ' OD1' HD13 ' A' ' 1' ' ' LEU . 31.3 m-20 -76.17 158.62 31.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 mtp180 37.53 41.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.6 p -84.21 -49.68 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 3.9 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.682 ' CG ' HG23 ' A' ' 13' ' ' THR . 4.0 mttt -127.07 144.82 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 32.5 m -135.42 165.02 26.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.482 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 6.6 m-20 -74.19 167.17 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -42.74 -35.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.526 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.48 143.75 48.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.526 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.87 9.27 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.72 -4.96 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 124.85 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.7 p90 -128.74 152.3 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -136.53 -178.82 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -87.95 151.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -71.23 109.09 4.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.52 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.11 167.33 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.149 3.096 . . . . 0.0 120.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.05 136.64 58.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.64 -26.16 25.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -94.66 160.8 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -145.62 -44.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 55' ' ' ASN . 5.6 mt -100.31 162.82 12.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -104.83 146.28 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -132.75 138.01 47.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 60' ' ' ASN . 7.4 ptmt -131.78 109.77 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.56 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 11.1 mtt -96.6 153.9 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.753 ' HA ' HG12 ' A' ' 34' ' ' VAL . 12.2 m-85 -145.38 137.26 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 5.8 mtp -74.45 155.95 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 16.7 mmm -64.29 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -64.6 -89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.14 70.72 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 27' ' ' MET . 16.0 mt -73.53 -6.8 48.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.693 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.72 -21.77 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.693 ' CG1' HG22 ' A' ' 31' ' ' THR . 0.8 OUTLIER -133.01 132.98 22.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.7 Cg_endo -55.44 168.49 1.47 Allowed 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.753 HG12 ' HA ' ' A' ' 25' ' ' PHE . 6.9 p -123.77 -35.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -137.26 138.64 40.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -148.74 118.68 7.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.19 -159.15 21.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 22.5 m -119.14 157.33 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.444 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 1.1 tt -155.77 165.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.46 -46.5 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.66 130.19 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -71.67 131.63 85.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 3.7 Cg_exo -76.05 164.19 31.84 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 10.1 mttt -75.31 145.51 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -84.41 149.54 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.9 p -120.75 174.53 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.5 mt -84.19 8.28 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.3 mt -111.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.4 m -128.78 153.53 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -112.52 149.13 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' HG23 ' A' ' 49' ' ' VAL . 20.5 m-30 -122.86 146.29 47.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.48 134.22 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 m -96.31 159.03 15.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.2 p -165.26 133.25 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' HB3' HD23 ' A' ' 20' ' ' LEU . 2.8 p30 -108.05 3.37 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -94.37 165.55 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 33.0 m-20 -79.63 161.98 25.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 13.5 mtm180 38.03 39.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -84.84 -49.56 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.772 ' HG3' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -125.9 143.2 51.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -137.56 172.3 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 108.325 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.7 m-20 -75.03 156.85 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.4 mmpt? -96.44 -169.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.26 -47.68 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.719 HG12 HG22 ' A' ' 9' ' ' ILE . 1.9 t -97.51 109.97 52.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.6 Cg_exo -60.03 12.3 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.719 HG22 HG12 ' A' ' 7' ' ' VAL . 1.5 tt -94.26 -7.85 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.1 138.74 16.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.3 p90 -123.16 156.3 35.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -136.44 -174.07 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.772 HG23 ' HG3' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -84.95 151.76 23.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.17 124.57 91.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 108.322 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -48.62 166.76 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.3 144.11 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 -26.32 8.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 165.01 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -145.63 -42.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 176.5 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 23.5 m -101.78 144.41 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 24' ' ' MET . 2.1 t80 -136.29 136.05 39.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -132.12 161.34 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 22' ' ' TYR . 5.9 mtp -136.21 130.59 33.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 9.0 m-85 -127.73 143.08 51.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 61.9 mtp -74.34 157.07 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 mmt -63.63 -35.2 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -66.09 -101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -76.46 85.0 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 26' ' ' MET . 3.8 mt -73.71 -15.71 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -87.17 7.24 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.571 ' O ' HG22 ' A' ' 32' ' ' ILE . 1.3 mm -139.9 94.67 8.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.28 152.18 8.59 Favored 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 35' ' ' LYS . 4.4 p -110.7 -43.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 34' ' ' VAL . 25.3 mmtt -138.75 144.3 39.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -149.68 137.06 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.83 -150.22 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 57.5 m -122.49 163.82 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -155.63 164.62 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -91.77 -52.55 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.668 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.6 t -111.34 140.86 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.1 t -76.65 108.71 6.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 6.4 Cg_exo -72.99 162.45 40.96 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -75.44 142.79 42.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.3 163.66 18.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -120.92 173.81 7.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.078 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 2.54 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.4 mm? -104.3 -52.69 2.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.29 162.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.69 138.15 52.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 20.3 m-30 -104.49 141.31 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.46 136.01 55.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 40.5 m -117.88 147.39 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -148.0 142.67 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -102.81 7.14 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -94.28 160.45 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.12 161.03 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 57.5 mtm180 36.37 37.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -85.6 -49.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -113.17 144.33 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 5.7 m -136.02 166.04 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -80.42 156.84 26.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -169.83 2.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -43.29 -47.47 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.3 109.81 51.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.4 Cg_exo -60.06 10.25 0.06 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.4 pp -95.08 -3.87 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 137.32 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 26.0 p90 -130.93 159.14 38.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.6 -159.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 142.82 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 72.3 m -69.4 109.39 4.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 108.239 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.45 176.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.87 136.99 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.29 -27.69 18.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -94.67 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -145.49 -44.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 55' ' ' ASN . 4.6 mt -99.78 167.54 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.6 m -112.43 147.45 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -134.1 144.39 48.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 25' ' ' PHE . 2.3 ptmt -138.8 116.11 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 34' ' ' VAL . 65.9 mtp -94.32 139.92 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 90.9 m-85 -136.2 139.98 43.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.518 ' O ' HD23 ' A' ' 30' ' ' LEU . 54.4 mtp -74.91 159.01 32.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 mmt -64.11 -37.35 87.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -65.34 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.45 76.98 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 26' ' ' MET . 15.6 mt -69.94 -8.41 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.57 -28.29 24.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -108.8 121.26 43.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.582 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 43.0 Cg_endo -63.36 161.85 29.38 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 24' ' ' MET . 6.3 p -114.99 -34.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -142.92 137.33 29.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.379 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -145.36 111.41 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.79 -153.92 7.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 m -116.82 162.7 17.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -155.41 157.84 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -82.07 -42.73 18.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -124.68 164.92 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.9 t -75.18 129.24 83.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 11.1 Cg_exo -69.61 177.32 5.59 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 54.8 mttt -72.71 -178.75 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 57.5 m-80 -154.07 131.35 11.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.4 p -125.58 176.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -84.91 7.6 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.4 mt -108.68 -49.11 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.75 135.16 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -103.17 145.23 30.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.9 m-85 -118.0 140.86 49.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -134.44 121.9 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.408 ' SG ' ' CD ' ' A' ' 43' ' ' PRO . 60.5 m -98.35 154.42 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 p -151.65 146.67 25.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -113.16 6.93 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 74.4 p -94.71 162.24 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -76.58 157.82 31.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 89.2 mtt180 37.68 43.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 30.7 p -85.34 -49.51 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 4.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.09 143.97 45.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 8.2 m -136.31 162.99 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.208 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-80 -76.18 157.77 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -95.78 -169.93 2.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 7.7 tp -43.34 -48.53 6.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.86 110.41 53.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.4 Cg_exo -59.82 9.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.152 3.097 . . . . 0.0 120.152 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -93.36 -4.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.14 133.56 12.73 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -124.06 159.55 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -135.64 -162.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.42 144.89 31.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 80.1 m -64.61 108.53 2.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.226 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -47.95 174.6 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.35 137.99 57.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.53 -29.01 8.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 6.1 mptt -90.77 155.05 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -145.69 -44.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 19.1 mt -100.52 161.13 13.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -104.53 145.38 30.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.47 142.94 50.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -137.13 122.82 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.6 mtp -110.56 149.2 30.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.8 m-85 -135.11 152.26 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.616 ' CG ' HG21 ' A' ' 34' ' ' VAL . 47.9 mtp -78.18 162.84 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mmm -62.87 -37.18 85.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -65.91 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.901 ' OD2' HD12 ' A' ' 32' ' ' ILE . 13.9 t0 -75.98 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 26' ' ' MET . 7.3 mt -69.35 -9.84 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.233 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -28.29 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.901 HD12 ' OD2' ' A' ' 29' ' ' ASP . 10.8 mt -101.94 108.3 55.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 50.2 Cg_exo -49.59 163.28 0.47 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.616 HG21 ' CG ' ' A' ' 26' ' ' MET . 0.5 OUTLIER -127.47 -39.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.613 ' HG2' HG13 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.33 134.99 46.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NH2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -146.69 109.52 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.363 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.83 -169.14 26.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.7 m -113.12 153.65 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 7.8 tt -156.15 169.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -82.91 -46.03 13.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -125.52 141.28 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -75.27 136.74 72.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 4.5 Cg_exo -76.48 165.54 28.92 Favored 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -75.8 144.29 41.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 9.9 m-80 -85.67 145.26 27.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -120.16 175.69 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt -84.72 8.44 17.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -108.68 -54.62 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.9 m -131.21 143.93 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' MET . 2.8 ttpt -98.69 136.7 38.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.0 m-85 -104.67 143.81 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.59 152.14 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.9 m -112.21 159.88 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 108.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.1 p -165.15 125.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 4.0 p30 -99.67 4.78 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -93.53 163.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 2.0 m-20 -81.94 163.96 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 54.6 mtm180 38.26 38.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 31.0 p -85.61 -49.6 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 108.256 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 19' ' ' ASN . 8.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -123.26 144.7 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.1 m -135.43 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 108.233 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-20 -79.56 171.38 15.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -95.09 -163.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tp -42.86 -35.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.618 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.34 145.62 56.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.618 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.61 9.9 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -93.7 -6.1 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.95 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.7 p90 -126.78 150.65 49.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 -174.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.467 ' HA ' ' CG ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -97.72 150.33 21.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.455 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 91.7 m -73.11 108.64 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.259 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.24 169.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.185 3.11 . . . . 0.0 120.185 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -58.98 139.82 56.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.88 9.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.5 mttp -97.81 163.32 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.682 ' O ' HD13 ' A' ' 1' ' ' LEU . 20.5 t30 -145.55 -43.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.23 169.04 10.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 15.5 m -103.86 146.46 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -123.05 150.22 43.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -134.03 115.86 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 34' ' ' VAL . 82.6 mtp -99.17 127.16 45.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.9 m-85 -132.13 151.35 51.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.585 ' HA ' HG22 ' A' ' 49' ' ' VAL . 38.0 mtp -84.94 159.1 20.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.6 mmm -64.8 -36.08 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.992 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD2' HD12 ' A' ' 32' ' ' ILE . 5.4 t0 -76.93 82.76 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.81 -10.19 59.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.78 31.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 32' ' ' ILE . 10.7 mt -114.38 98.87 50.02 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 51.0 Cg_exo -48.48 150.8 5.39 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' MET . 0.1 OUTLIER -105.42 -46.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -142.94 152.23 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 11.4 mtm180 -151.71 127.95 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.24 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.47 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -164.39 -147.94 5.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 19.2 m -124.41 163.77 21.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.576 HG21 ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -152.44 164.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.92 -40.67 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -125.52 143.66 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.67 107.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HD3' HG21 ' A' ' 39' ' ' ILE . 18.4 Cg_exo -64.2 153.49 76.12 Favored 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 135.67 40.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -85.44 153.67 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -116.78 178.11 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.83 7.88 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.59 -55.01 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -130.57 145.56 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -105.94 138.69 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE1' HG12 ' A' ' 49' ' ' VAL . 7.0 m-85 -108.29 126.53 52.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.592 HG21 ' CE2' ' A' ' 25' ' ' PHE . 2.0 t -106.31 172.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 52' ' ' VAL . 58.0 m -144.37 147.09 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.341 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 p -153.72 134.61 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -100.88 8.13 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.382 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -94.15 166.87 11.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.27 160.45 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 38.91 36.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p -85.09 -48.81 8.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.94 142.71 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.5 m -137.35 162.4 33.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.78 163.66 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.92 -163.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -42.43 -33.09 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.63 HG12 ' H ' ' A' ' 9' ' ' ILE . 1.9 t -134.57 141.1 37.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.4 Cg_exo -61.58 9.35 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.63 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -95.51 -3.79 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.64 129.8 10.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -133.91 153.36 51.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' CD ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.79 -171.72 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.81 145.87 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.0 m -75.33 110.9 11.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.44 165.58 0.16 Allowed 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -59.92 139.35 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -28.66 14.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.48 117.9 24.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -111.64 -8.98 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.1 mt -99.17 159.17 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 m -112.1 145.56 39.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -135.78 152.78 51.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.31 123.32 12.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 51.8 mtt -97.13 139.32 33.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -133.68 147.65 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.617 ' HA ' HG22 ' A' ' 49' ' ' VAL . 60.5 mtm -76.07 156.06 34.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.659 ' O ' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -63.51 -38.89 92.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 t -69.04 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.628 ' OD2' HD13 ' A' ' 32' ' ' ILE . 21.0 t0 -75.69 75.65 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD11 ' O ' ' A' ' 27' ' ' MET . 0.8 OUTLIER -73.23 -12.77 60.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.479 HG23 HD12 ' A' ' 32' ' ' ILE . 3.9 t -85.59 5.6 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.628 HD13 ' OD2' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -139.77 125.1 11.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.21 160.31 35.26 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -120.16 -41.32 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.64 151.86 49.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.373 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -148.96 111.68 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.32 -158.02 9.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.7 m -125.14 156.5 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.09 177.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -45.29 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.414 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -119.27 152.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.14 110.74 10.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.1 Cg_exo -63.45 152.51 79.77 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.69 131.49 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -86.06 160.53 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -123.79 177.12 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -85.84 12.98 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.0 mt -115.28 -54.09 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -130.61 142.18 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -102.56 137.48 40.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 49' ' ' VAL . 4.5 m-85 -109.67 124.88 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.8 t -106.68 161.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.84 161.8 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -161.7 158.53 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -125.32 0.85 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -94.12 164.19 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -77.38 161.11 28.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 65.1 mtp180 36.96 42.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -84.61 -50.19 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.469 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 30.5 mttt -118.86 144.17 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -136.0 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -78.16 165.94 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.93 -157.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -37.51 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.565 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.56 144.83 52.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.83 9.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -95.18 -4.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.34 119.06 5.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.8 p90 -127.02 151.49 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.56 -166.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.38 141.32 36.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.577 ' HB2' HD12 ' A' ' 1' ' ' LEU . 57.9 m -64.8 108.19 1.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.7 Cg_endo -48.99 171.29 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.81 137.46 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.41 -32.65 7.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -95.18 163.87 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.06 -42.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.6 167.79 10.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 10.8 m -103.94 145.35 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -132.09 151.04 51.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.61 129.9 19.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 3.9 mtm -112.56 141.07 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.2 m-85 -139.2 152.73 47.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.509 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 8.7 mtt -76.62 159.28 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.8 mmt -63.91 -36.35 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 t -70.72 -98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.907 ' OD2' HD12 ' A' ' 32' ' ' ILE . 11.8 t0 -75.14 87.17 2.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 26' ' ' MET . 4.4 mt -75.85 -13.08 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -6.06 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.907 HD12 ' OD2' ' A' ' 29' ' ' ASP . 10.0 mt -119.69 93.26 47.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -50.38 153.43 7.3 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 120.128 3.088 . . . . 0.0 120.128 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -116.15 -39.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -135.84 136.26 40.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -149.27 113.66 5.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.23 2.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.5 m -130.84 162.81 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -151.62 168.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.1 -40.73 8.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.54 150.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -75.57 111.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.265 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.66 160.3 37.01 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -75.08 136.56 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.591 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 13.2 m-80 -86.0 149.98 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -120.07 170.99 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.5 11.21 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 3.3 mp -115.34 -46.96 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.655 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -130.44 153.32 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 144.38 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.236 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.655 ' CE1' HG23 ' A' ' 49' ' ' VAL . 2.9 m-85 -118.98 140.12 50.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.15 140.65 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.2 m -114.11 160.11 19.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -160.35 133.09 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.22 5.86 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 p -94.28 160.17 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -81.37 162.55 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 43.4 mtm180 37.53 36.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.87 -48.77 8.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.497 HD13 ' ND2' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -121.23 144.78 48.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -135.32 175.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 108.386 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -82.41 167.49 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -94.6 -162.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -42.34 -35.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.522 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.4 143.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.522 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.7 10.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -93.12 -7.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.03 123.69 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.9 p90 -126.41 151.46 47.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.29 -175.05 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.65 145.75 24.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 99.1 m -66.92 108.83 2.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 108.241 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.41 169.88 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -64.65 129.93 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.58 -24.49 21.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -128.88 130.05 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.497 ' ND2' HD13 ' A' ' 1' ' ' LEU . 13.2 t-20 -117.18 -28.94 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.07 158.23 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -104.57 145.61 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 2.7 p90 -135.68 149.06 49.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HE2' HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -145.89 113.8 6.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.243 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 28.4 mtt -99.43 146.59 26.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 20.3 m-85 -138.59 147.15 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.515 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 81.0 mtp -75.02 154.91 37.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 20.0 mmm -64.41 -38.99 92.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -75.35 -79.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.68 68.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 26' ' ' MET . 20.7 mt -73.54 -13.69 61.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.897 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.6 t -86.28 6.27 30.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.364 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -148.95 136.52 11.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 4.7 Cg_exo -76.71 159.3 35.22 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.088 3.072 . . . . 0.0 120.088 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -115.41 -36.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -137.68 131.04 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.2 103.29 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.47 -134.97 1.8 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 33.4 m -137.36 164.18 29.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.417 ' N ' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -154.47 171.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -101.32 -31.96 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.58 146.49 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.5 t -76.24 111.53 15.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.5 Cg_exo -63.95 152.44 80.84 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -74.97 140.06 43.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.9 152.05 23.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -124.34 168.94 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.08 3.1 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.7 mt -103.65 -51.17 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.0 m -130.96 165.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' MET . 12.7 ttpt -124.52 139.91 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE1' HG23 ' A' ' 49' ' ' VAL . 3.9 m-85 -114.24 141.93 46.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG11 ' HE2' ' A' ' 23' ' ' LYS . 2.6 t -134.31 121.61 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 20.8 m -94.35 164.67 12.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -164.09 137.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.236 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -101.17 4.65 42.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -93.81 167.95 11.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.382 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.29 163.79 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 37.9 37.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.3 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.774 ' HG3' HG23 ' A' ' 13' ' ' THR . 1.1 mptt -114.52 143.5 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m -136.21 163.43 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -78.79 157.01 28.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -96.38 -167.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.6 tp -43.27 -49.0 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.391 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.61 109.81 50.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.8 Cg_exo -60.05 10.45 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.137 3.091 . . . . 0.0 120.137 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.55 -4.48 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.46 134.97 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 51.3 p90 -127.36 156.94 41.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -136.35 -178.86 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.774 HG23 ' HG3' ' A' ' 2' ' ' LYS . 1.5 m -84.78 141.68 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 99.6 m -66.18 110.07 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 108.273 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.501 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.07 174.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.65 140.11 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.01 -31.26 6.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 160.92 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -145.62 -43.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.12 171.85 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 2.6 m -103.4 147.76 26.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 108.266 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -132.23 145.72 51.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.49 125.5 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 38.5 mtt -112.05 139.38 47.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.2 m-85 -132.53 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.414 ' HA ' HG22 ' A' ' 49' ' ' VAL . 35.7 mtp -76.24 159.15 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -63.65 -37.07 85.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 t -68.66 -98.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' CG ' HD12 ' A' ' 32' ' ' ILE . 7.1 t0 -76.13 83.59 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -13.19 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.9 p -86.27 -2.12 58.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.534 HD12 ' CG ' ' A' ' 29' ' ' ASP . 2.9 mt -129.49 100.4 19.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 52.8 Cg_exo -50.17 151.12 9.6 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' MET . 0.1 OUTLIER -111.37 -39.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -136.91 139.15 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 33' ' ' PRO . 19.2 mtp180 -146.22 124.99 12.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.47 -158.97 21.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 79.6 m -110.79 164.46 12.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -154.72 166.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.39 -41.52 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.98 142.83 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.1 t -75.78 110.84 11.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 16.7 Cg_exo -65.3 161.65 36.82 Favored 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.075 3.067 . . . . 0.0 120.075 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -74.78 135.64 41.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 6.2 m-80 -85.95 150.2 24.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -120.53 174.66 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.44 10.69 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.36 -50.92 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.47 146.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' MET . 14.0 tttt -106.22 147.37 29.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 3.9 m-85 -120.0 137.84 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.24 120.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 10.5 m -106.09 153.26 22.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 108.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.0 p -150.67 148.13 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 108.231 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.18 12.75 26.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -94.11 159.41 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -77.74 148.3 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.6 mtp180 36.36 45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.55 -51.45 8.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.876 HD13 ' O ' ' A' ' 55' ' ' ASN . 13.7 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.492 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 2.6 mtmt -114.35 143.71 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.45 163.98 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 1.7 m120 -74.39 154.84 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -168.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.04 -48.41 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.9 t -97.31 110.09 52.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.8 Cg_exo -60.21 11.58 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -95.04 -5.76 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.17 138.88 17.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 21.3 p90 -125.85 162.15 25.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.28 -168.68 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -105.83 140.77 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 71.3 m -75.1 110.01 9.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -48.09 169.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.43 141.93 58.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.0 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -145.28 85.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.7 t30 -101.21 6.27 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 40' ' ' ASP . 17.0 mt -88.81 152.59 21.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.8 m -106.32 142.59 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -135.38 155.74 50.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 127.34 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -114.09 141.75 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.943 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.2 m-85 -134.69 156.09 49.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 68.0 mtp -79.04 161.25 26.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.3 mmt -64.72 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -71.58 -97.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 5.5 t0 -73.54 81.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.8 -14.46 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.439 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 5.2 t -86.49 4.67 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.7 mm -129.9 96.21 26.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -45.7 155.02 0.55 Allowed 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -118.3 -41.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' C ' ' HG2' ' A' ' 36' ' ' ARG . 15.8 mttt -136.55 133.37 36.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' C ' ' A' ' 35' ' ' LYS . 2.8 mmm180 -142.23 121.02 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.83 -162.47 27.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.7 m -108.64 154.53 21.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 tt -145.79 174.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.6 p-10 -100.85 -53.68 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.15 148.72 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.9 t -75.41 121.71 85.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 5.9 Cg_exo -73.46 154.93 50.69 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.54 135.7 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 m-80 -85.49 155.41 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 p -124.55 174.65 7.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.1 7.47 18.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' MET . 13.6 mt -108.17 -50.72 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.594 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -130.47 156.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.82 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.8 m-85 -111.16 138.82 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.28 122.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -103.9 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 108.276 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -163.66 146.99 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.876 ' O ' HD13 ' A' ' 1' ' ' LEU . 0.9 OUTLIER -111.88 9.25 20.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 p -93.33 160.89 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m-20 -77.78 154.54 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASP . 40.3 mtm180 37.0 44.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p -85.41 -49.68 7.91 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.102 . . . . 0.0 108.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.0 143.82 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.4 m -136.29 164.01 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -70.77 149.69 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -96.22 -163.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -42.96 -49.13 6.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.249 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.455 HG12 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -97.25 109.8 51.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 24.7 Cg_exo -60.59 9.64 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.139 0 N-CA-C 120.168 3.103 . . . . 0.0 120.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 HG12 ' A' ' 7' ' ' VAL . 1.4 tt -96.01 -3.13 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.06 138.15 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -120.93 161.92 20.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -135.77 178.4 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.64 151.29 24.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 95.3 m -74.95 108.82 6.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.13 171.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.25 137.57 58.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.44 -30.28 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CE ' ' HG2' ' A' ' 15' ' ' PRO . 9.2 mtmt -103.21 155.51 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -145.66 -42.4 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.24 165.44 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 8.5 m -105.33 142.64 34.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -136.73 158.53 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.44 142.13 25.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.46 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.6 mtm -121.1 130.69 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 5.5 m-85 -132.81 158.04 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.722 ' HA ' HG22 ' A' ' 49' ' ' VAL . 52.9 mtm -83.68 155.24 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -64.17 -33.81 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -73.46 -98.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' HD13 ' A' ' 32' ' ' ILE . 12.7 t0 -73.64 77.93 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -71.71 -16.15 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.502 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -86.55 11.74 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -140.62 92.73 8.9 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 161.83 6.38 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.53 HG23 ' CG ' ' A' ' 35' ' ' LYS . 6.3 m -124.76 -42.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.9 mttp -131.17 138.64 49.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 60' ' ' ASN . 40.3 mtt-85 -155.25 112.87 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.81 -143.66 3.76 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 59.7 m -117.81 166.4 12.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.61 170.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -45.16 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -124.67 147.72 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -70.88 109.78 5.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.67 155.5 62.89 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 134.26 43.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.594 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 17.1 m-80 -86.03 157.26 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -121.46 173.52 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.888 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.26 13.74 7.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 -49.17 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.722 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -129.71 155.8 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.94 153.61 28.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' HG12 ' A' ' 49' ' ' VAL . 2.5 m-85 -131.99 124.17 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.505 HG21 ' HE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -107.68 149.55 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -124.88 155.14 39.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 108.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 p -155.83 167.24 31.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -127.75 2.27 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.3 p -94.4 166.74 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.0 m-20 -82.15 162.93 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' ASP . 23.8 mtm180 36.99 35.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.8 p -85.92 -49.86 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 108.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.466 HD22 ' OD1' ' A' ' 19' ' ' ASN . 10.5 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -116.15 143.67 45.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -136.18 164.03 29.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.538 1.148 . . . . 0.0 108.253 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -75.59 165.67 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.63 -158.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -37.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 8' ' ' PRO . 7.3 t -137.0 146.28 54.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 7' ' ' VAL . 23.7 Cg_exo -61.0 14.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.595 HG23 HG12 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -96.64 -7.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.06 127.77 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.4 p90 -132.3 150.3 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.59 178.54 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.46 149.23 25.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -73.92 120.25 80.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 17.7 Cg_endo -47.65 175.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.255 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.41 137.65 58.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.39 0.32 66.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.78 104.91 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' OD1' HD22 ' A' ' 1' ' ' LEU . 26.4 t30 -111.2 -18.38 12.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.07 163.83 16.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.9 m -119.77 141.01 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -136.55 151.26 49.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -148.35 125.1 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.792 ' O ' HG12 ' A' ' 34' ' ' VAL . 67.5 mtp -94.44 141.46 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 33' ' ' PRO . 50.4 m-85 -134.94 135.42 41.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 mtp -74.84 158.28 33.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -63.15 -35.41 80.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -64.08 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' HD12 ' A' ' 32' ' ' ILE . 12.9 t0 -75.89 79.35 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.5 -8.99 57.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.03 -24.78 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.411 HD12 ' OD2' ' A' ' 29' ' ' ASP . 9.5 mt -113.95 121.03 37.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 42.4 Cg_endo -63.22 161.92 28.62 Favored 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.169 3.103 . . . . 0.0 120.169 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 24' ' ' MET . 5.6 p -113.69 -36.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 34' ' ' VAL . 16.1 mmtp -138.33 146.94 42.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -151.45 111.92 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.237 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.23 -149.35 5.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -129.47 160.65 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.79 -179.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -100.67 -46.27 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -124.25 158.96 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -71.47 111.29 9.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 22.2 Cg_exo -62.68 174.42 2.92 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 20.1 mttt -67.83 176.65 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.524 ' HA ' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -153.21 140.26 19.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -118.23 178.11 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -84.39 6.9 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 mt -108.06 -49.09 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.5 m -127.56 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -111.78 144.9 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.4 m-85 -113.49 122.87 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.093 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.19 115.57 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 m -94.13 161.28 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -161.99 158.13 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -125.8 3.89 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 52.8 p -93.95 161.93 14.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -75.14 157.31 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER 37.96 44.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.6 p -85.63 -49.54 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.235 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.7 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -116.18 143.5 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.59 172.43 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.249 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 m-20 -81.37 165.42 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -93.65 -161.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.71 -35.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.377 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.458 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.2 141.86 40.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD2' HG12 ' A' ' 7' ' ' VAL . 23.1 Cg_exo -61.64 10.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.053 3.059 . . . . 0.0 120.053 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -92.45 -8.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.22 121.66 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.3 p90 -122.2 154.42 37.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -135.92 -166.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.81 150.25 25.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 58.2 m -75.43 108.44 5.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 18.5 Cg_endo -48.91 177.95 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 120.046 3.056 . . . . 0.0 120.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.9 138.82 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.46 -29.28 9.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.7 mttt -87.24 157.03 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -145.65 -45.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.71 167.6 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 6.3 m -104.43 146.35 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -134.68 137.14 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HE3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -134.82 123.02 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.243 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.566 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.2 mtt -105.53 126.8 52.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CE2' ' HE3' ' A' ' 23' ' ' LYS . 9.3 m-30 -115.03 134.19 55.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.532 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 22.7 mtp -74.74 149.7 39.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -70.44 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' HG22 ' A' ' 31' ' ' THR . 10.1 t0 -75.06 81.55 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 26' ' ' MET . 11.9 mt -75.35 -15.17 60.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.497 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -87.05 2.28 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.511 ' HA ' HD13 ' A' ' 32' ' ' ILE . 3.0 mm -144.72 105.51 4.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 50.1 Cg_exo -49.34 164.53 0.3 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 24' ' ' MET . 3.3 p -121.72 -38.22 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -136.58 133.95 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.79 108.94 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.4 -139.93 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 34.4 m -129.92 162.78 27.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.544 HG21 ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -151.64 167.12 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -37.79 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -125.94 132.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 6.5 t -64.32 107.48 1.38 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD3' HG21 ' A' ' 39' ' ' ILE . 17.5 Cg_exo -64.61 154.55 71.57 Favored 'Trans proline' 0 CA--C 1.567 2.134 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 49.2 mttt -75.66 135.03 40.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -82.0 163.16 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -129.12 -179.82 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.8 mt -84.97 4.8 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.18 -53.37 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 24' ' ' MET . 1.7 p -130.51 141.1 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 131.52 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.413 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 12.3 m-85 -104.75 121.34 43.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.15 115.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -94.03 145.75 24.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.088 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -147.37 165.58 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.16 6.1 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -95.13 162.63 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -77.19 155.56 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtm180 38.32 40.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -84.57 -48.23 9.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.4 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.589 HD11 ' C ' ' A' ' 56' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 143.36 45.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -136.57 166.25 23.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.329 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -76.63 154.54 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HG3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.87 -169.16 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.31 -47.27 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.467 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.8 t -97.45 109.59 50.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.2 Cg_exo -60.15 10.34 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.123 3.086 . . . . 0.0 120.123 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG12 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -94.85 -4.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 139.41 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.3 p90 -130.76 157.52 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CD ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.75 -166.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -99.85 144.22 29.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 77.9 m -64.52 108.1 1.76 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.4 Cg_endo -48.9 170.36 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.04 133.73 55.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.4 -15.04 46.83 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 160.92 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -145.4 -41.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.51 157.74 28.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.9 144.03 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 9.5 p90 -131.59 141.68 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -129.44 123.79 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.699 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.6 mtt -103.15 130.11 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 41.6 m-85 -127.35 151.08 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.7 mtp -82.3 163.76 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt -64.67 -38.33 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 t -71.17 -98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' OD2' HD12 ' A' ' 32' ' ' ILE . 5.4 t0 -76.09 84.96 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -11.92 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.99 -13.89 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.49 HD12 ' OD2' ' A' ' 29' ' ' ASP . 8.8 mt -111.82 102.8 54.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -49.94 144.79 20.5 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 24' ' ' MET . 6.2 p -109.08 -38.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' A' ' 34' ' ' VAL . 8.3 mmtt -140.47 145.7 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -146.6 127.79 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.592 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.78 -165.78 33.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.8 m -120.76 165.02 15.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -155.11 -179.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.21 -52.02 3.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -107.95 153.74 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -75.46 109.79 8.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 15.6 Cg_exo -66.1 151.89 82.61 Favored 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -74.67 139.42 43.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -85.52 167.22 15.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -120.97 174.32 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 mt -84.44 7.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.74 -48.76 2.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.606 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.2 m -130.71 161.61 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.6 OUTLIER -122.79 143.91 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CE1' HG23 ' A' ' 49' ' ' VAL . 13.3 m-85 -116.89 120.48 38.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG12 ' HD3' ' A' ' 23' ' ' LYS . 3.2 t -107.72 136.17 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -101.15 154.03 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.67 130.31 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.72 9.76 39.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.589 ' C ' HD11 ' A' ' 1' ' ' LEU . 22.2 p -94.79 160.92 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.5 159.92 22.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.2 mtp180 37.0 39.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.32 -46.38 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.4 OUTLIER -121.06 143.56 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.5 m -136.64 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.53 155.26 38.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -96.2 -167.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.27 -48.27 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 9' ' ' ILE . 2.0 t -97.27 109.68 50.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.2 Cg_exo -60.16 10.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.17 3.104 . . . . 0.0 120.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 7' ' ' VAL . 4.6 tp -94.93 -5.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.23 137.68 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 23.3 p90 -126.23 156.76 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.07 -174.35 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.41 145.16 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 83.2 m -74.19 130.15 83.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 16.3 Cg_endo -47.66 165.22 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.62 137.52 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 -22.4 16.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -114.56 108.58 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.81 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -111.23 -3.8 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 20' ' ' LEU . 36.3 mt -100.44 151.76 21.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.1 m -105.41 144.28 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 7.8 p90 -135.46 153.08 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 127.05 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 26.7 mtp -112.1 145.57 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.1 m-85 -134.3 132.08 39.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.529 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 60.7 mtp -76.56 157.71 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.22 -33.26 75.1 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -96.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 32' ' ' ILE . 19.1 t0 -75.42 76.36 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 26' ' ' MET . 25.7 mt -73.68 -10.47 59.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.635 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.97 -18.95 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.635 ' CG1' HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -132.58 114.42 14.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.232 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 66.7 Cg_exo -45.91 167.74 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 26' ' ' MET . 4.9 p -118.12 -33.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HG3' ' HE2' ' A' ' 24' ' ' MET . 8.1 mmtt -139.04 143.58 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -153.95 112.23 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' TYR . . . -165.61 -151.52 6.72 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 8.7 m -123.09 157.19 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -149.52 174.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' CG ' HG23 ' A' ' 41' ' ' VAL . 8.7 p-10 -100.7 -52.6 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG23 ' CG ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -108.15 150.07 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 t -75.81 117.25 62.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.221 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 8.3 Cg_exo -70.87 150.8 62.05 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.108 3.08 . . . . 0.0 120.108 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.35 133.78 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.507 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -85.37 153.75 22.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -121.47 174.61 6.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.6 5.94 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -51.15 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -129.75 150.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -109.84 134.08 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.653 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.6 m-85 -104.89 139.76 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.9 t -134.56 132.53 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -105.54 160.89 14.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 108.303 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -161.55 139.76 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.55 7.95 35.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.9 p -94.2 163.95 13.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 158.34 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 39.22 40.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -85.32 -47.07 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 143.91 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -135.89 167.24 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -78.3 166.96 22.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -95.57 -160.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -42.55 -36.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.652 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.66 146.05 57.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.1 Cg_exo -61.42 9.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -94.37 -5.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 122.32 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 54.1 p90 -124.83 150.34 46.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -136.58 -177.56 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.238 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 146.7 23.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.2 m -72.8 109.05 5.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 108.362 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.03 165.01 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.1 122.86 17.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 120.06 -15.07 10.27 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 127.65 21.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.85 -14.91 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -100.76 155.85 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 9.1 m -104.74 142.6 34.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.5 p90 -136.64 151.25 49.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -143.66 128.38 18.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 44.5 mtm -100.71 128.85 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 27.5 m-85 -121.07 140.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' HOH . 46.6 mtp -78.94 154.07 29.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.448 ' HA ' HD21 ' A' ' 30' ' ' LEU . 6.6 mmt -64.14 -35.16 79.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -68.98 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' OD1' HG22 ' A' ' 31' ' ' THR . 19.0 t0 -75.54 81.48 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -74.74 -14.6 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.534 HG22 ' OD1' ' A' ' 29' ' ' ASP . 3.1 t -86.17 2.79 45.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.8 mt -140.31 100.32 7.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.61 152.62 4.03 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.445 HG22 ' CG ' ' A' ' 35' ' ' LYS . 2.3 p -107.87 -43.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' CG ' HG22 ' A' ' 34' ' ' VAL . 5.8 mttm -140.38 146.17 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' CB ' ' A' ' 23' ' ' LYS . 43.0 mtt180 -152.66 127.61 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.58 -145.68 4.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 22.5 m -129.87 161.46 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -154.73 176.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 1.3 t0 -100.3 -48.42 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -110.62 146.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.46 110.83 11.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 20.8 Cg_exo -63.63 151.5 84.74 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.33 141.52 47.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -85.9 156.61 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -121.84 172.8 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 2.28 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.1 mm? -105.41 -55.56 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.48 162.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.97 139.63 50.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 4.6 m-85 -104.91 123.78 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.461 HG11 ' HE2' ' A' ' 23' ' ' LYS . 2.9 t -106.67 157.24 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 m -137.71 160.58 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 108.31 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 p -164.44 154.86 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.67 6.75 11.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 p -94.18 161.74 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -78.13 155.78 30.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtp180 38.09 41.16 0.36 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.392 1.058 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.69 -49.7 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.277 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.412 ' O ' ' CG ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 144.19 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.89 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -79.43 157.35 27.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -96.37 -169.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.57 -48.44 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.83 110.26 52.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.9 Cg_exo -60.11 10.85 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -94.95 -4.9 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 136.15 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.1 p90 -126.22 156.36 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.83 -170.56 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.16 147.96 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.7 m -69.48 109.1 3.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.3 Cg_endo -48.25 170.4 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 140.11 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.01 -29.33 11.4 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.04 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -145.5 -44.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -100.15 172.12 7.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 53.3 m -104.06 145.57 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 108.339 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.29 157.26 43.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.87 133.43 11.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.1 mtp -115.49 148.32 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -142.36 158.8 43.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.476 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 57.9 mtp -77.64 159.49 29.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.71 -34.83 78.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -72.7 -102.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' CG ' HG12 ' A' ' 32' ' ' ILE . 13.1 t0 -77.11 88.05 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -4.1 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.527 HG22 ' CD1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -85.56 -2.2 57.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' HG22 ' A' ' 31' ' ' THR . 0.7 OUTLIER -122.01 94.88 47.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -50.96 143.61 30.27 Favored 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.667 HG23 ' CG ' ' A' ' 35' ' ' LYS . 3.4 m -107.17 -37.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.667 ' CG ' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -131.76 136.42 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -146.46 108.49 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.86 -144.35 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 36.4 m -128.26 160.15 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.85 168.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -98.64 -36.64 9.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.56 144.1 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -75.47 111.33 13.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.275 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -63.67 160.18 37.65 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -75.43 141.24 43.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -85.49 149.47 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -118.35 170.57 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.4 mt -85.83 13.52 7.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.14 -43.75 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' PHE . 1.8 p -130.71 148.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' MET . 1.2 tttm -114.71 137.51 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -108.8 139.86 43.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -135.35 128.72 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.8 m -103.38 162.9 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 108.314 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.31 136.66 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.533 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -101.09 9.68 41.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.6 p -94.36 161.12 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.07 157.14 24.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.1 mtm180 38.39 39.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.236 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.3 p -84.61 -49.7 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.409 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.63 145.14 44.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -135.32 170.31 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.457 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -83.33 159.65 21.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -96.31 -169.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.37 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.81 -48.25 8.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.91 110.5 53.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.2 Cg_exo -59.84 10.11 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -94.89 -3.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.87 133.38 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.4 p90 -125.38 159.59 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -135.56 -171.19 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.4 139.86 33.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 74.4 m -66.72 114.46 17.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.1 Cg_endo -47.72 172.42 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.59 137.98 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.79 -23.24 17.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -121.29 103.36 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -107.19 -10.36 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -92.5 168.15 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.479 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 20.2 m -121.82 144.11 49.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -135.38 156.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 23.7 ttpt -153.37 123.32 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.699 ' O ' HG12 ' A' ' 34' ' ' VAL . 31.2 mtt -101.21 134.48 44.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 91.6 m-85 -121.95 131.29 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.558 ' HA ' HG22 ' A' ' 49' ' ' VAL . 51.4 mtp -83.43 156.65 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mmm -63.87 -33.92 76.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 t -64.25 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.77 71.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 26' ' ' MET . 24.6 mt -71.49 -6.47 40.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -85.44 -27.06 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.88 131.31 23.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 29.7 Cg_endo -56.79 168.25 2.48 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 24' ' ' MET . 3.3 p -116.51 -32.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -136.75 142.66 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -151.81 107.82 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 -157.43 8.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.53 159.37 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 2.9 tt -155.44 175.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -98.52 -42.52 7.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.6 t -117.97 159.87 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 t -75.86 124.55 88.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.7 Cg_exo -63.93 176.1 2.65 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 6.0 mtpm? -67.33 178.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 54.1 m-80 -154.19 128.51 9.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -126.57 172.62 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.941 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.8 -2.42 43.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -98.56 -49.35 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.27 131.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.09 162.05 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-85 -131.18 145.73 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.31 116.01 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.6 157.08 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 108.316 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.76 161.8 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.41 2.94 6.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -93.33 160.52 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.1 m-20 -74.23 157.82 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASP . 18.4 mtt180 37.69 42.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.6 p -85.11 -49.08 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.3 pp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.584 ' CG ' HG23 ' A' ' 13' ' ' THR . 1.6 mtmp? -122.84 143.41 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.76 158.88 43.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 108.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.6 m-20 -67.0 157.71 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.1 mmpt? -96.36 -168.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.84 -48.22 8.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' CG1' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -97.71 110.34 54.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.3 Cg_exo -59.89 13.15 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.55 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -94.8 -7.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 136.94 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 38.1 p90 -123.59 157.52 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -136.35 -169.59 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.584 HG23 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -92.11 145.55 24.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.461 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 62.8 m -67.98 126.55 92.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.28 169.66 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.75 137.11 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 -26.58 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 12.5 mmtt -91.4 150.32 21.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -145.72 -40.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 15.2 mt -84.67 152.83 23.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 9.9 m -104.63 143.78 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 4.4 p90 -134.8 158.23 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 24' ' ' MET . 0.3 OUTLIER -156.97 114.12 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.578 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.42 130.77 40.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 17.7 m-30 -116.24 135.67 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.539 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 6.5 mtt -74.9 151.78 38.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmm -62.28 -33.47 74.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 t -67.63 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.16 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.507 ' OD1' HG22 ' A' ' 31' ' ' THR . 13.0 t0 -75.5 80.5 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 26' ' ' MET . 18.0 mt -75.25 -14.88 60.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.36 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.507 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.6 t -86.83 1.51 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' HA ' HD13 ' A' ' 32' ' ' ILE . 3.9 mm -146.64 108.95 4.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 53.8 Cg_exo -47.38 170.93 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 24' ' ' MET . 2.7 p -127.37 -39.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -138.94 134.88 33.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH2' ' HA ' ' A' ' 60' ' ' ASN . 24.4 mtp85 -145.84 127.76 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.7 -174.24 45.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 11.7 m -110.21 156.03 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 tt -156.76 173.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -87.98 -45.31 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.9 118.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 108.294 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 3.6 Cg_exo -75.89 170.55 19.91 Favored 'Trans proline' 0 CA--C 1.569 2.235 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -75.77 143.4 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -85.45 151.1 24.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -125.24 171.73 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.1 mt -84.27 6.42 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -115.82 -45.5 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.591 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -131.11 130.5 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 138.31 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 49' ' ' VAL . 8.2 m-85 -104.57 122.22 45.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.71 121.33 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 m -96.6 160.63 14.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.1 p -165.22 137.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 1.4 p30 -107.17 5.76 28.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.371 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -94.38 161.17 14.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -79.35 161.81 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 mpt_? 38.2 37.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.5 p -85.14 -48.38 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 2.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.576 HD13 ' OD1' ' A' ' 57' ' ' ASP . 2.8 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -109.72 142.65 40.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 4.5 m -137.41 167.32 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.7 m-20 -80.24 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.03 -156.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -43.01 -36.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.735 HG13 ' HD2' ' A' ' 8' ' ' PRO . 7.8 t -139.97 147.94 52.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.735 ' HD2' HG13 ' A' ' 7' ' ' VAL . 24.2 Cg_exo -60.54 14.67 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.733 HG22 HG12 ' A' ' 7' ' ' VAL . 6.3 tp -94.99 -10.18 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 124.13 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.1 p90 -125.44 153.48 43.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -136.03 -170.78 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.17 142.61 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 98.5 m -67.0 109.07 2.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.307 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.15 173.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.44 136.5 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.94 -28.31 11.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 39' ' ' ILE . 16.3 mttt -107.52 118.46 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -110.89 -25.75 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -100.84 162.32 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -104.31 147.12 27.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.0 p90 -135.39 159.32 41.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -155.04 122.57 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.5 mtp -106.47 132.29 52.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 5.0 m-85 -128.5 163.25 25.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.627 ' HG3' HG11 ' A' ' 34' ' ' VAL . 35.1 mtp -85.48 157.92 20.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mmt -64.55 -35.7 81.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.5 t -71.23 -97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.083 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.952 ' OD2' HD12 ' A' ' 32' ' ' ILE . 15.9 t0 -75.71 80.33 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -15.71 61.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.536 HG22 ' OD1' ' A' ' 29' ' ' ASP . 3.9 t -86.27 8.17 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.952 HD12 ' OD2' ' A' ' 29' ' ' ASP . 2.5 mt -136.66 90.44 16.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 44.2 Cg_exo -52.25 154.92 10.1 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG23 ' HG3' ' A' ' 35' ' ' LYS . 11.1 m -116.93 -33.38 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.699 ' HG3' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -136.74 140.85 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -152.58 110.35 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.27 -142.11 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 27.7 m -132.07 163.6 28.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.417 ' N ' ' HB3' ' A' ' 18' ' ' LYS . 1.1 tt -153.28 172.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -100.84 -38.73 8.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -123.86 145.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.93 111.27 13.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.68 161.16 36.87 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.7 134.18 40.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 3.6 m-80 -85.51 154.18 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.0 p -122.92 175.04 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.17 8.59 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.37 -49.7 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.542 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -128.8 156.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -116.73 137.24 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.1 m-85 -107.39 138.98 42.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.81 129.03 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -108.83 162.56 14.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 108.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -158.31 162.13 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -126.35 2.46 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 p -93.54 160.63 14.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.576 ' OD1' HD13 ' A' ' 1' ' ' LEU . 31.3 m-20 -76.17 158.62 31.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 mtp180 37.53 41.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.6 p -84.21 -49.68 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 3.9 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.682 ' CG ' HG23 ' A' ' 13' ' ' THR . 4.0 mttt -127.07 144.82 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 32.5 m -135.42 165.02 26.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.482 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 6.6 m-20 -74.19 167.17 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -42.74 -35.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.526 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.48 143.75 48.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.526 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.87 9.27 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.72 -4.96 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 124.85 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.7 p90 -128.74 152.3 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -136.53 -178.82 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -87.95 151.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -71.23 109.09 4.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.52 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.11 167.33 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.149 3.096 . . . . 0.0 120.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.05 136.64 58.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.64 -26.16 25.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -94.66 160.8 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -145.62 -44.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 55' ' ' ASN . 5.6 mt -100.31 162.82 12.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -104.83 146.28 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -132.75 138.01 47.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 60' ' ' ASN . 7.4 ptmt -131.78 109.77 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.56 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 11.1 mtt -96.6 153.9 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.753 ' HA ' HG12 ' A' ' 34' ' ' VAL . 12.2 m-85 -145.38 137.26 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 5.8 mtp -74.45 155.95 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 16.7 mmm -64.29 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -64.6 -89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.14 70.72 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 27' ' ' MET . 16.0 mt -73.53 -6.8 48.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.693 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.72 -21.77 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.693 ' CG1' HG22 ' A' ' 31' ' ' THR . 0.8 OUTLIER -133.01 132.98 22.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.7 Cg_endo -55.44 168.49 1.47 Allowed 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.753 HG12 ' HA ' ' A' ' 25' ' ' PHE . 6.9 p -123.77 -35.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -137.26 138.64 40.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -148.74 118.68 7.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.19 -159.15 21.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 22.5 m -119.14 157.33 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.444 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 1.1 tt -155.77 165.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.46 -46.5 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.66 130.19 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -71.67 131.63 85.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 3.7 Cg_exo -76.05 164.19 31.84 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 10.1 mttt -75.31 145.51 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -84.41 149.54 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.9 p -120.75 174.53 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.5 mt -84.19 8.28 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.3 mt -111.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.4 m -128.78 153.53 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -112.52 149.13 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' HG23 ' A' ' 49' ' ' VAL . 20.5 m-30 -122.86 146.29 47.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.48 134.22 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 m -96.31 159.03 15.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.2 p -165.26 133.25 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' HB3' HD23 ' A' ' 20' ' ' LEU . 2.8 p30 -108.05 3.37 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -94.37 165.55 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 33.0 m-20 -79.63 161.98 25.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 13.5 mtm180 38.03 39.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -84.84 -49.56 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.772 ' HG3' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -125.9 143.2 51.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -137.56 172.3 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 108.325 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.7 m-20 -75.03 156.85 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.4 mmpt? -96.44 -169.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.26 -47.68 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.719 HG12 HG22 ' A' ' 9' ' ' ILE . 1.9 t -97.51 109.97 52.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.6 Cg_exo -60.03 12.3 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.719 HG22 HG12 ' A' ' 7' ' ' VAL . 1.5 tt -94.26 -7.85 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.1 138.74 16.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.3 p90 -123.16 156.3 35.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -136.44 -174.07 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.772 HG23 ' HG3' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -84.95 151.76 23.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.17 124.57 91.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 108.322 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -48.62 166.76 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.3 144.11 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 -26.32 8.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 165.01 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -145.63 -42.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 176.5 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 23.5 m -101.78 144.41 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 24' ' ' MET . 2.1 t80 -136.29 136.05 39.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -132.12 161.34 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 22' ' ' TYR . 5.9 mtp -136.21 130.59 33.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 9.0 m-85 -127.73 143.08 51.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 61.9 mtp -74.34 157.07 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 mmt -63.63 -35.2 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -66.09 -101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -76.46 85.0 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 26' ' ' MET . 3.8 mt -73.71 -15.71 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -87.17 7.24 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.571 ' O ' HG22 ' A' ' 32' ' ' ILE . 1.3 mm -139.9 94.67 8.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.28 152.18 8.59 Favored 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 35' ' ' LYS . 4.4 p -110.7 -43.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 34' ' ' VAL . 25.3 mmtt -138.75 144.3 39.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -149.68 137.06 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.83 -150.22 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 57.5 m -122.49 163.82 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -155.63 164.62 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -91.77 -52.55 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.668 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.6 t -111.34 140.86 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.1 t -76.65 108.71 6.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 6.4 Cg_exo -72.99 162.45 40.96 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -75.44 142.79 42.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.3 163.66 18.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -120.92 173.81 7.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.078 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 2.54 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.4 mm? -104.3 -52.69 2.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.29 162.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.69 138.15 52.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 20.3 m-30 -104.49 141.31 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.46 136.01 55.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 40.5 m -117.88 147.39 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -148.0 142.67 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -102.81 7.14 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -94.28 160.45 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.12 161.03 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 57.5 mtm180 36.37 37.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -85.6 -49.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -113.17 144.33 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 5.7 m -136.02 166.04 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -80.42 156.84 26.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -169.83 2.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -43.29 -47.47 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.3 109.81 51.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.4 Cg_exo -60.06 10.25 0.06 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.4 pp -95.08 -3.87 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 137.32 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 26.0 p90 -130.93 159.14 38.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.6 -159.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 142.82 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 72.3 m -69.4 109.39 4.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 108.239 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.45 176.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.87 136.99 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.29 -27.69 18.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -94.67 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -145.49 -44.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 55' ' ' ASN . 4.6 mt -99.78 167.54 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.6 m -112.43 147.45 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -134.1 144.39 48.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 25' ' ' PHE . 2.3 ptmt -138.8 116.11 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 34' ' ' VAL . 65.9 mtp -94.32 139.92 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 90.9 m-85 -136.2 139.98 43.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.518 ' O ' HD23 ' A' ' 30' ' ' LEU . 54.4 mtp -74.91 159.01 32.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 mmt -64.11 -37.35 87.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -65.34 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.45 76.98 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 26' ' ' MET . 15.6 mt -69.94 -8.41 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.57 -28.29 24.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -108.8 121.26 43.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.582 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 43.0 Cg_endo -63.36 161.85 29.38 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 24' ' ' MET . 6.3 p -114.99 -34.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -142.92 137.33 29.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.379 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -145.36 111.41 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.79 -153.92 7.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 m -116.82 162.7 17.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -155.41 157.84 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -82.07 -42.73 18.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -124.68 164.92 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.9 t -75.18 129.24 83.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 11.1 Cg_exo -69.61 177.32 5.59 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 54.8 mttt -72.71 -178.75 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 57.5 m-80 -154.07 131.35 11.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.4 p -125.58 176.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -84.91 7.6 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.4 mt -108.68 -49.11 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.75 135.16 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -103.17 145.23 30.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.9 m-85 -118.0 140.86 49.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -134.44 121.9 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.408 ' SG ' ' CD ' ' A' ' 43' ' ' PRO . 60.5 m -98.35 154.42 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 p -151.65 146.67 25.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -113.16 6.93 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 74.4 p -94.71 162.24 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -76.58 157.82 31.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 89.2 mtt180 37.68 43.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 30.7 p -85.34 -49.51 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 4.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.09 143.97 45.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 8.2 m -136.31 162.99 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.208 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-80 -76.18 157.77 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -95.78 -169.93 2.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 7.7 tp -43.34 -48.53 6.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.86 110.41 53.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.4 Cg_exo -59.82 9.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.152 3.097 . . . . 0.0 120.152 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -93.36 -4.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.14 133.56 12.73 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -124.06 159.55 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -135.64 -162.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.42 144.89 31.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 80.1 m -64.61 108.53 2.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.226 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -47.95 174.6 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.35 137.99 57.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.53 -29.01 8.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 6.1 mptt -90.77 155.05 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -145.69 -44.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 19.1 mt -100.52 161.13 13.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -104.53 145.38 30.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.47 142.94 50.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -137.13 122.82 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.6 mtp -110.56 149.2 30.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.8 m-85 -135.11 152.26 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.616 ' CG ' HG21 ' A' ' 34' ' ' VAL . 47.9 mtp -78.18 162.84 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mmm -62.87 -37.18 85.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -65.91 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.901 ' OD2' HD12 ' A' ' 32' ' ' ILE . 13.9 t0 -75.98 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 26' ' ' MET . 7.3 mt -69.35 -9.84 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.233 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -28.29 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.901 HD12 ' OD2' ' A' ' 29' ' ' ASP . 10.8 mt -101.94 108.3 55.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 50.2 Cg_exo -49.59 163.28 0.47 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.616 HG21 ' CG ' ' A' ' 26' ' ' MET . 0.5 OUTLIER -127.47 -39.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.613 ' HG2' HG13 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.33 134.99 46.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NH2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -146.69 109.52 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.363 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.83 -169.14 26.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.7 m -113.12 153.65 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 7.8 tt -156.15 169.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -82.91 -46.03 13.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -125.52 141.28 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -75.27 136.74 72.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 4.5 Cg_exo -76.48 165.54 28.92 Favored 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -75.8 144.29 41.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 9.9 m-80 -85.67 145.26 27.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -120.16 175.69 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt -84.72 8.44 17.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -108.68 -54.62 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.9 m -131.21 143.93 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' MET . 2.8 ttpt -98.69 136.7 38.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.0 m-85 -104.67 143.81 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.59 152.14 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.9 m -112.21 159.88 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 108.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.1 p -165.15 125.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 4.0 p30 -99.67 4.78 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -93.53 163.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 2.0 m-20 -81.94 163.96 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 54.6 mtm180 38.26 38.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 31.0 p -85.61 -49.6 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 108.256 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 19' ' ' ASN . 8.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -123.26 144.7 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.1 m -135.43 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 108.233 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-20 -79.56 171.38 15.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -95.09 -163.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tp -42.86 -35.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.618 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.34 145.62 56.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.618 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.61 9.9 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -93.7 -6.1 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.95 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.7 p90 -126.78 150.65 49.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 -174.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.467 ' HA ' ' CG ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -97.72 150.33 21.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.455 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 91.7 m -73.11 108.64 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.259 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.24 169.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.185 3.11 . . . . 0.0 120.185 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -58.98 139.82 56.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.88 9.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.5 mttp -97.81 163.32 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.682 ' O ' HD13 ' A' ' 1' ' ' LEU . 20.5 t30 -145.55 -43.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.23 169.04 10.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 15.5 m -103.86 146.46 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.604 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -123.05 150.22 43.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -134.03 115.86 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 34' ' ' VAL . 82.6 mtp -99.17 127.16 45.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.9 m-85 -132.13 151.35 51.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.585 ' HA ' HG22 ' A' ' 49' ' ' VAL . 38.0 mtp -84.94 159.1 20.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.6 mmm -64.8 -36.08 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.992 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD2' HD12 ' A' ' 32' ' ' ILE . 5.4 t0 -76.93 82.76 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.81 -10.19 59.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.78 31.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 32' ' ' ILE . 10.7 mt -114.38 98.87 50.02 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 51.0 Cg_exo -48.48 150.8 5.39 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' MET . 0.1 OUTLIER -105.42 -46.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -142.94 152.23 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 11.4 mtm180 -151.71 127.95 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.24 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -164.39 -147.94 5.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 19.2 m -124.41 163.77 21.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.576 HG21 ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -152.44 164.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.92 -40.67 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -125.52 143.66 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.67 107.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HD3' HG21 ' A' ' 39' ' ' ILE . 18.4 Cg_exo -64.2 153.49 76.12 Favored 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 135.67 40.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -85.44 153.67 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -116.78 178.11 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.83 7.88 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.59 -55.01 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -130.57 145.56 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -105.94 138.69 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE1' HG12 ' A' ' 49' ' ' VAL . 7.0 m-85 -108.29 126.53 52.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.592 HG21 ' CE2' ' A' ' 25' ' ' PHE . 2.0 t -106.31 172.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 52' ' ' VAL . 58.0 m -144.37 147.09 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.341 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 p -153.72 134.61 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -100.88 8.13 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.382 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -94.15 166.87 11.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.27 160.45 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 38.91 36.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p -85.09 -48.81 8.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.94 142.71 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.5 m -137.35 162.4 33.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.78 163.66 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.92 -163.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -42.43 -33.09 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.63 HG12 ' H ' ' A' ' 9' ' ' ILE . 1.9 t -134.57 141.1 37.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.4 Cg_exo -61.58 9.35 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.63 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -95.51 -3.79 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.64 129.8 10.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -133.91 153.36 51.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' CD ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.79 -171.72 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.81 145.87 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.0 m -75.33 110.9 11.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.44 165.58 0.16 Allowed 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -59.92 139.35 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -28.66 14.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.48 117.9 24.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -111.64 -8.98 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.1 mt -99.17 159.17 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 m -112.1 145.56 39.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -135.78 152.78 51.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.31 123.32 12.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 51.8 mtt -97.13 139.32 33.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -133.68 147.65 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.617 ' HA ' HG22 ' A' ' 49' ' ' VAL . 60.5 mtm -76.07 156.06 34.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.659 ' O ' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -63.51 -38.89 92.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 t -69.04 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.628 ' OD2' HD13 ' A' ' 32' ' ' ILE . 21.0 t0 -75.69 75.65 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD11 ' O ' ' A' ' 27' ' ' MET . 0.8 OUTLIER -73.23 -12.77 60.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.479 HG23 HD12 ' A' ' 32' ' ' ILE . 3.9 t -85.59 5.6 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.628 HD13 ' OD2' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -139.77 125.1 11.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.21 160.31 35.26 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -120.16 -41.32 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.64 151.86 49.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.373 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -148.96 111.68 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.32 -158.02 9.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.7 m -125.14 156.5 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.09 177.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -45.29 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.414 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -119.27 152.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.14 110.74 10.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.1 Cg_exo -63.45 152.51 79.77 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.69 131.49 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -86.06 160.53 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -123.79 177.12 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -85.84 12.98 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.0 mt -115.28 -54.09 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -130.61 142.18 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -102.56 137.48 40.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 49' ' ' VAL . 4.5 m-85 -109.67 124.88 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.8 t -106.68 161.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.84 161.8 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -161.7 158.53 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -125.32 0.85 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -94.12 164.19 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -77.38 161.11 28.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 65.1 mtp180 36.96 42.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -84.61 -50.19 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.469 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 30.5 mttt -118.86 144.17 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -136.0 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -78.16 165.94 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.93 -157.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -37.51 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.565 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.56 144.83 52.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.83 9.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -95.18 -4.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.34 119.06 5.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.8 p90 -127.02 151.49 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.56 -166.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.38 141.32 36.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.577 ' HB2' HD12 ' A' ' 1' ' ' LEU . 57.9 m -64.8 108.19 1.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.7 Cg_endo -48.99 171.29 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.81 137.46 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.41 -32.65 7.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -95.18 163.87 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.06 -42.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.6 167.79 10.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 10.8 m -103.94 145.35 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -132.09 151.04 51.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.61 129.9 19.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 3.9 mtm -112.56 141.07 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.2 m-85 -139.2 152.73 47.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.509 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 8.7 mtt -76.62 159.28 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.8 mmt -63.91 -36.35 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 t -70.72 -98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.907 ' OD2' HD12 ' A' ' 32' ' ' ILE . 11.8 t0 -75.14 87.17 2.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 26' ' ' MET . 4.4 mt -75.85 -13.08 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -6.06 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.907 HD12 ' OD2' ' A' ' 29' ' ' ASP . 10.0 mt -119.69 93.26 47.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -50.38 153.43 7.3 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 120.128 3.088 . . . . 0.0 120.128 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -116.15 -39.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -135.84 136.26 40.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -149.27 113.66 5.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.23 2.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.5 m -130.84 162.81 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -151.62 168.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.1 -40.73 8.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.54 150.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -75.57 111.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.265 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.66 160.3 37.01 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -75.08 136.56 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.591 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 13.2 m-80 -86.0 149.98 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -120.07 170.99 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.5 11.21 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 3.3 mp -115.34 -46.96 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.655 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -130.44 153.32 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 144.38 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.236 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.655 ' CE1' HG23 ' A' ' 49' ' ' VAL . 2.9 m-85 -118.98 140.12 50.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.15 140.65 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.2 m -114.11 160.11 19.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -160.35 133.09 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.22 5.86 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 p -94.28 160.17 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -81.37 162.55 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 43.4 mtm180 37.53 36.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.87 -48.77 8.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.497 HD13 ' ND2' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -121.23 144.78 48.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -135.32 175.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 108.386 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -82.41 167.49 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -94.6 -162.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -42.34 -35.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.522 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.4 143.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.522 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.7 10.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -93.12 -7.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.03 123.69 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.9 p90 -126.41 151.46 47.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.29 -175.05 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.65 145.75 24.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 99.1 m -66.92 108.83 2.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 108.241 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.41 169.88 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -64.65 129.93 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.58 -24.49 21.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -128.88 130.05 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.497 ' ND2' HD13 ' A' ' 1' ' ' LEU . 13.2 t-20 -117.18 -28.94 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.07 158.23 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -104.57 145.61 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 2.7 p90 -135.68 149.06 49.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HE2' HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -145.89 113.8 6.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.243 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 28.4 mtt -99.43 146.59 26.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 20.3 m-85 -138.59 147.15 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.515 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 81.0 mtp -75.02 154.91 37.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 20.0 mmm -64.41 -38.99 92.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -75.35 -79.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.68 68.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 26' ' ' MET . 20.7 mt -73.54 -13.69 61.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.897 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.6 t -86.28 6.27 30.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.364 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -148.95 136.52 11.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 4.7 Cg_exo -76.71 159.3 35.22 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.088 3.072 . . . . 0.0 120.088 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -115.41 -36.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -137.68 131.04 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.2 103.29 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.47 -134.97 1.8 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 33.4 m -137.36 164.18 29.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.417 ' N ' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -154.47 171.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -101.32 -31.96 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.58 146.49 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.5 t -76.24 111.53 15.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.5 Cg_exo -63.95 152.44 80.84 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -74.97 140.06 43.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.9 152.05 23.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -124.34 168.94 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.08 3.1 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.7 mt -103.65 -51.17 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.0 m -130.96 165.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' MET . 12.7 ttpt -124.52 139.91 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE1' HG23 ' A' ' 49' ' ' VAL . 3.9 m-85 -114.24 141.93 46.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG11 ' HE2' ' A' ' 23' ' ' LYS . 2.6 t -134.31 121.61 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 20.8 m -94.35 164.67 12.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -164.09 137.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.236 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -101.17 4.65 42.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -93.81 167.95 11.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.382 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.29 163.79 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 37.9 37.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.3 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.774 ' HG3' HG23 ' A' ' 13' ' ' THR . 1.1 mptt -114.52 143.5 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m -136.21 163.43 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -78.79 157.01 28.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -96.38 -167.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.6 tp -43.27 -49.0 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.391 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.61 109.81 50.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.8 Cg_exo -60.05 10.45 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.137 3.091 . . . . 0.0 120.137 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.55 -4.48 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.46 134.97 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 51.3 p90 -127.36 156.94 41.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -136.35 -178.86 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.774 HG23 ' HG3' ' A' ' 2' ' ' LYS . 1.5 m -84.78 141.68 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 99.6 m -66.18 110.07 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 108.273 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.501 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.07 174.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.65 140.11 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.01 -31.26 6.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 160.92 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -145.62 -43.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.12 171.85 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 2.6 m -103.4 147.76 26.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 108.266 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -132.23 145.72 51.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.49 125.5 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 38.5 mtt -112.05 139.38 47.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.2 m-85 -132.53 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.414 ' HA ' HG22 ' A' ' 49' ' ' VAL . 35.7 mtp -76.24 159.15 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -63.65 -37.07 85.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 t -68.66 -98.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' CG ' HD12 ' A' ' 32' ' ' ILE . 7.1 t0 -76.13 83.59 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -13.19 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.9 p -86.27 -2.12 58.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.534 HD12 ' CG ' ' A' ' 29' ' ' ASP . 2.9 mt -129.49 100.4 19.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 52.8 Cg_exo -50.17 151.12 9.6 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' MET . 0.1 OUTLIER -111.37 -39.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -136.91 139.15 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 33' ' ' PRO . 19.2 mtp180 -146.22 124.99 12.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.47 -158.97 21.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 79.6 m -110.79 164.46 12.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -154.72 166.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.39 -41.52 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.98 142.83 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.1 t -75.78 110.84 11.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 16.7 Cg_exo -65.3 161.65 36.82 Favored 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.075 3.067 . . . . 0.0 120.075 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -74.78 135.64 41.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.587 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 6.2 m-80 -85.95 150.2 24.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -120.53 174.66 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.44 10.69 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.36 -50.92 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.538 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.47 146.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' MET . 14.0 tttt -106.22 147.37 29.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 3.9 m-85 -120.0 137.84 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.24 120.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 10.5 m -106.09 153.26 22.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 108.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.0 p -150.67 148.13 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 108.231 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -108.18 12.75 26.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -94.11 159.41 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -77.74 148.3 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.6 mtp180 36.36 45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.55 -51.45 8.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.876 HD13 ' O ' ' A' ' 55' ' ' ASN . 13.7 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.492 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 2.6 mtmt -114.35 143.71 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.45 163.98 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 1.7 m120 -74.39 154.84 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -168.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.04 -48.41 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.9 t -97.31 110.09 52.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.8 Cg_exo -60.21 11.58 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -95.04 -5.76 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.17 138.88 17.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 21.3 p90 -125.85 162.15 25.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.28 -168.68 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -105.83 140.77 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 71.3 m -75.1 110.01 9.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -48.09 169.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.43 141.93 58.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.0 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -145.28 85.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.7 t30 -101.21 6.27 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 40' ' ' ASP . 17.0 mt -88.81 152.59 21.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.8 m -106.32 142.59 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -135.38 155.74 50.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 127.34 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -114.09 141.75 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.943 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' CD1' ' N ' ' A' ' 25' ' ' PHE . 1.2 m-85 -134.69 156.09 49.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 68.0 mtp -79.04 161.25 26.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.3 mmt -64.72 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -71.58 -97.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 5.5 t0 -73.54 81.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.8 -14.46 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.439 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 5.2 t -86.49 4.67 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.7 mm -129.9 96.21 26.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -45.7 155.02 0.55 Allowed 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -118.3 -41.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' C ' ' HG2' ' A' ' 36' ' ' ARG . 15.8 mttt -136.55 133.37 36.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' C ' ' A' ' 35' ' ' LYS . 2.8 mmm180 -142.23 121.02 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.83 -162.47 27.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.7 m -108.64 154.53 21.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 tt -145.79 174.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.6 p-10 -100.85 -53.68 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.15 148.72 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.9 t -75.41 121.71 85.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 5.9 Cg_exo -73.46 154.93 50.69 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.54 135.7 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 m-80 -85.49 155.41 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 p -124.55 174.65 7.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.1 7.47 18.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' MET . 13.6 mt -108.17 -50.72 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.594 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -130.47 156.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.82 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.8 m-85 -111.16 138.82 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.28 122.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -103.9 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 108.276 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -163.66 146.99 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.876 ' O ' HD13 ' A' ' 1' ' ' LEU . 0.9 OUTLIER -111.88 9.25 20.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 p -93.33 160.89 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m-20 -77.78 154.54 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASP . 40.3 mtm180 37.0 44.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p -85.41 -49.68 7.91 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.102 . . . . 0.0 108.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.404 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.0 143.82 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.4 m -136.29 164.01 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -70.77 149.69 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -96.22 -163.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -42.96 -49.13 6.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.249 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.455 HG12 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -97.25 109.8 51.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 24.7 Cg_exo -60.59 9.64 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.139 0 N-CA-C 120.168 3.103 . . . . 0.0 120.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 HG12 ' A' ' 7' ' ' VAL . 1.4 tt -96.01 -3.13 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.06 138.15 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -120.93 161.92 20.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -135.77 178.4 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.64 151.29 24.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 95.3 m -74.95 108.82 6.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.13 171.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.25 137.57 58.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.44 -30.28 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CE ' ' HG2' ' A' ' 15' ' ' PRO . 9.2 mtmt -103.21 155.51 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -145.66 -42.4 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.24 165.44 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 8.5 m -105.33 142.64 34.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -136.73 158.53 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.44 142.13 25.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.46 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.6 mtm -121.1 130.69 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 5.5 m-85 -132.81 158.04 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.722 ' HA ' HG22 ' A' ' 49' ' ' VAL . 52.9 mtm -83.68 155.24 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -64.17 -33.81 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -73.46 -98.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' HD13 ' A' ' 32' ' ' ILE . 12.7 t0 -73.64 77.93 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -71.71 -16.15 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.502 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -86.55 11.74 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -140.62 92.73 8.9 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 161.83 6.38 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.53 HG23 ' CG ' ' A' ' 35' ' ' LYS . 6.3 m -124.76 -42.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.9 mttp -131.17 138.64 49.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 60' ' ' ASN . 40.3 mtt-85 -155.25 112.87 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.81 -143.66 3.76 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 59.7 m -117.81 166.4 12.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.61 170.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -45.16 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -124.67 147.72 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -70.88 109.78 5.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.67 155.5 62.89 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 134.26 43.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.594 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 17.1 m-80 -86.03 157.26 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -121.46 173.52 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.888 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.26 13.74 7.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 -49.17 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.722 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -129.71 155.8 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.94 153.61 28.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' HG12 ' A' ' 49' ' ' VAL . 2.5 m-85 -131.99 124.17 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.505 HG21 ' HE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -107.68 149.55 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -124.88 155.14 39.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 108.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 p -155.83 167.24 31.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -127.75 2.27 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.3 p -94.4 166.74 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.0 m-20 -82.15 162.93 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' ASP . 23.8 mtm180 36.99 35.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.8 p -85.92 -49.86 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 108.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.422 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.466 HD22 ' OD1' ' A' ' 19' ' ' ASN . 10.5 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -116.15 143.67 45.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -136.18 164.03 29.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.538 1.148 . . . . 0.0 108.253 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -75.59 165.67 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.63 -158.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -37.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 8' ' ' PRO . 7.3 t -137.0 146.28 54.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 7' ' ' VAL . 23.7 Cg_exo -61.0 14.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.595 HG23 HG12 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -96.64 -7.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.06 127.77 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.4 p90 -132.3 150.3 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.59 178.54 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.46 149.23 25.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -73.92 120.25 80.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 17.7 Cg_endo -47.65 175.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.255 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.41 137.65 58.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.39 0.32 66.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.78 104.91 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' OD1' HD22 ' A' ' 1' ' ' LEU . 26.4 t30 -111.2 -18.38 12.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.07 163.83 16.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.9 m -119.77 141.01 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -136.55 151.26 49.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -148.35 125.1 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.792 ' O ' HG12 ' A' ' 34' ' ' VAL . 67.5 mtp -94.44 141.46 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 33' ' ' PRO . 50.4 m-85 -134.94 135.42 41.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 mtp -74.84 158.28 33.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -63.15 -35.41 80.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -64.08 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' HD12 ' A' ' 32' ' ' ILE . 12.9 t0 -75.89 79.35 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.5 -8.99 57.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.03 -24.78 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.411 HD12 ' OD2' ' A' ' 29' ' ' ASP . 9.5 mt -113.95 121.03 37.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 42.4 Cg_endo -63.22 161.92 28.62 Favored 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.169 3.103 . . . . 0.0 120.169 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 24' ' ' MET . 5.6 p -113.69 -36.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 34' ' ' VAL . 16.1 mmtp -138.33 146.94 42.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -151.45 111.92 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.237 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.23 -149.35 5.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -129.47 160.65 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.79 -179.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -100.67 -46.27 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -124.25 158.96 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -71.47 111.29 9.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 22.2 Cg_exo -62.68 174.42 2.92 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 20.1 mttt -67.83 176.65 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.524 ' HA ' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -153.21 140.26 19.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -118.23 178.11 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -84.39 6.9 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 mt -108.06 -49.09 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.5 m -127.56 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -111.78 144.9 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.4 m-85 -113.49 122.87 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.093 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.19 115.57 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 m -94.13 161.28 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -161.99 158.13 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -125.8 3.89 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 52.8 p -93.95 161.93 14.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -75.14 157.31 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER 37.96 44.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.6 p -85.63 -49.54 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.235 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.7 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -116.18 143.5 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.59 172.43 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.249 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 m-20 -81.37 165.42 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -93.65 -161.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.71 -35.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.377 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.458 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.2 141.86 40.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD2' HG12 ' A' ' 7' ' ' VAL . 23.1 Cg_exo -61.64 10.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.053 3.059 . . . . 0.0 120.053 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -92.45 -8.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.22 121.66 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.3 p90 -122.2 154.42 37.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -135.92 -166.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.81 150.25 25.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 58.2 m -75.43 108.44 5.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 18.5 Cg_endo -48.91 177.95 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 120.046 3.056 . . . . 0.0 120.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.9 138.82 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.46 -29.28 9.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.7 mttt -87.24 157.03 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -145.65 -45.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.71 167.6 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 6.3 m -104.43 146.35 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -134.68 137.14 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HE3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -134.82 123.02 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.243 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.566 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.2 mtt -105.53 126.8 52.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CE2' ' HE3' ' A' ' 23' ' ' LYS . 9.3 m-30 -115.03 134.19 55.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.532 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 22.7 mtp -74.74 149.7 39.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -70.44 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' HG22 ' A' ' 31' ' ' THR . 10.1 t0 -75.06 81.55 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 26' ' ' MET . 11.9 mt -75.35 -15.17 60.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.497 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -87.05 2.28 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.511 ' HA ' HD13 ' A' ' 32' ' ' ILE . 3.0 mm -144.72 105.51 4.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 50.1 Cg_exo -49.34 164.53 0.3 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 24' ' ' MET . 3.3 p -121.72 -38.22 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -136.58 133.95 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.79 108.94 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.4 -139.93 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 34.4 m -129.92 162.78 27.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.544 HG21 ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -151.64 167.12 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -37.79 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -125.94 132.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 6.5 t -64.32 107.48 1.38 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD3' HG21 ' A' ' 39' ' ' ILE . 17.5 Cg_exo -64.61 154.55 71.57 Favored 'Trans proline' 0 CA--C 1.567 2.134 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 49.2 mttt -75.66 135.03 40.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -82.0 163.16 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -129.12 -179.82 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.8 mt -84.97 4.8 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.18 -53.37 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 24' ' ' MET . 1.7 p -130.51 141.1 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 131.52 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.413 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 12.3 m-85 -104.75 121.34 43.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.15 115.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -94.03 145.75 24.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.088 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -147.37 165.58 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -129.16 6.1 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -95.13 162.63 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -77.19 155.56 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtm180 38.32 40.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -84.57 -48.23 9.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.4 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.404 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.589 HD11 ' C ' ' A' ' 56' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 143.36 45.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -136.57 166.25 23.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.329 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -76.63 154.54 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HG3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.87 -169.16 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.31 -47.27 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.467 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.8 t -97.45 109.59 50.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.2 Cg_exo -60.15 10.34 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.123 3.086 . . . . 0.0 120.123 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG12 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -94.85 -4.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 139.41 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.3 p90 -130.76 157.52 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CD ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.75 -166.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -99.85 144.22 29.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 77.9 m -64.52 108.1 1.76 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.4 Cg_endo -48.9 170.36 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.04 133.73 55.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.4 -15.04 46.83 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 160.92 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -145.4 -41.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.51 157.74 28.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.9 144.03 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 9.5 p90 -131.59 141.68 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -129.44 123.79 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.699 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.6 mtt -103.15 130.11 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 41.6 m-85 -127.35 151.08 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 62.7 mtp -82.3 163.76 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt -64.67 -38.33 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 t -71.17 -98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' OD2' HD12 ' A' ' 32' ' ' ILE . 5.4 t0 -76.09 84.96 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -11.92 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.99 -13.89 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.49 HD12 ' OD2' ' A' ' 29' ' ' ASP . 8.8 mt -111.82 102.8 54.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -49.94 144.79 20.5 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 24' ' ' MET . 6.2 p -109.08 -38.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' A' ' 34' ' ' VAL . 8.3 mmtt -140.47 145.7 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -146.6 127.79 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.592 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.78 -165.78 33.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.8 m -120.76 165.02 15.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -155.11 -179.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.21 -52.02 3.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -107.95 153.74 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -75.46 109.79 8.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 15.6 Cg_exo -66.1 151.89 82.61 Favored 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -74.67 139.42 43.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -85.52 167.22 15.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -120.97 174.32 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 mt -84.44 7.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.74 -48.76 2.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.606 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.2 m -130.71 161.61 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.6 OUTLIER -122.79 143.91 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CE1' HG23 ' A' ' 49' ' ' VAL . 13.3 m-85 -116.89 120.48 38.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG12 ' HD3' ' A' ' 23' ' ' LYS . 3.2 t -107.72 136.17 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -101.15 154.03 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.67 130.31 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.72 9.76 39.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.589 ' C ' HD11 ' A' ' 1' ' ' LEU . 22.2 p -94.79 160.92 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.5 159.92 22.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.2 mtp180 37.0 39.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.32 -46.38 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HOH . . . . . 0.438 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.482 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.4 OUTLIER -121.06 143.56 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.5 m -136.64 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.53 155.26 38.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -96.2 -167.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.27 -48.27 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 9' ' ' ILE . 2.0 t -97.27 109.68 50.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.2 Cg_exo -60.16 10.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.17 3.104 . . . . 0.0 120.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 7' ' ' VAL . 4.6 tp -94.93 -5.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.23 137.68 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 23.3 p90 -126.23 156.76 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.07 -174.35 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.41 145.16 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 83.2 m -74.19 130.15 83.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 16.3 Cg_endo -47.66 165.22 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.62 137.52 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 -22.4 16.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -114.56 108.58 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.81 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -111.23 -3.8 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 20' ' ' LEU . 36.3 mt -100.44 151.76 21.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.1 m -105.41 144.28 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 7.8 p90 -135.46 153.08 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 127.05 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 26.7 mtp -112.1 145.57 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.579 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.1 m-85 -134.3 132.08 39.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.529 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 60.7 mtp -76.56 157.71 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.22 -33.26 75.1 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -96.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 32' ' ' ILE . 19.1 t0 -75.42 76.36 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 26' ' ' MET . 25.7 mt -73.68 -10.47 59.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.635 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.97 -18.95 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.635 ' CG1' HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -132.58 114.42 14.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.232 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 66.7 Cg_exo -45.91 167.74 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 26' ' ' MET . 4.9 p -118.12 -33.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HG3' ' HE2' ' A' ' 24' ' ' MET . 8.1 mmtt -139.04 143.58 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -153.95 112.23 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' TYR . . . -165.61 -151.52 6.72 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 8.7 m -123.09 157.19 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -149.52 174.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.413 ' CG ' HG23 ' A' ' 41' ' ' VAL . 8.7 p-10 -100.7 -52.6 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 HG23 ' CG ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -108.15 150.07 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 t -75.81 117.25 62.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.221 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 8.3 Cg_exo -70.87 150.8 62.05 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.108 3.08 . . . . 0.0 120.108 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.35 133.78 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.507 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -85.37 153.75 22.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -121.47 174.61 6.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.6 5.94 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -51.15 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -129.75 150.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -109.84 134.08 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.653 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.6 m-85 -104.89 139.76 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.9 t -134.56 132.53 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -105.54 160.89 14.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 108.303 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -161.55 139.76 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.55 7.95 35.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.9 p -94.2 163.95 13.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 158.34 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 39.22 40.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -85.32 -47.07 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 143.91 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -135.89 167.24 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -78.3 166.96 22.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -95.57 -160.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -42.55 -36.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.652 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.66 146.05 57.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.652 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.1 Cg_exo -61.42 9.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -94.37 -5.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 122.32 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 54.1 p90 -124.83 150.34 46.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -136.58 -177.56 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.238 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 146.7 23.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.2 m -72.8 109.05 5.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 108.362 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.03 165.01 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.1 122.86 17.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 120.06 -15.07 10.27 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 127.65 21.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.85 -14.91 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -100.76 155.85 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 9.1 m -104.74 142.6 34.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.5 p90 -136.64 151.25 49.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -143.66 128.38 18.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 44.5 mtm -100.71 128.85 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 27.5 m-85 -121.07 140.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 46.6 mtp -78.94 154.07 29.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 111.04 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.448 ' HA ' HD21 ' A' ' 30' ' ' LEU . 6.6 mmt -64.14 -35.16 79.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -68.98 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' OD1' HG22 ' A' ' 31' ' ' THR . 19.0 t0 -75.54 81.48 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -74.74 -14.6 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.534 HG22 ' OD1' ' A' ' 29' ' ' ASP . 3.1 t -86.17 2.79 45.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.8 mt -140.31 100.32 7.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.61 152.62 4.03 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.445 HG22 ' CG ' ' A' ' 35' ' ' LYS . 2.3 p -107.87 -43.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.445 ' CG ' HG22 ' A' ' 34' ' ' VAL . 5.8 mttm -140.38 146.17 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' CB ' ' A' ' 23' ' ' LYS . 43.0 mtt180 -152.66 127.61 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.58 -145.68 4.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 22.5 m -129.87 161.46 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -154.73 176.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 1.3 t0 -100.3 -48.42 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -110.62 146.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.46 110.83 11.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 20.8 Cg_exo -63.63 151.5 84.74 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.33 141.52 47.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -85.9 156.61 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -121.84 172.8 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 2.28 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.1 mm? -105.41 -55.56 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.48 162.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.97 139.63 50.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 4.6 m-85 -104.91 123.78 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.461 HG11 ' HE2' ' A' ' 23' ' ' LYS . 2.9 t -106.67 157.24 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 m -137.71 160.58 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 108.31 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 p -164.44 154.86 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.67 6.75 11.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 p -94.18 161.74 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -78.13 155.78 30.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtp180 38.09 41.16 0.36 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.392 1.058 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.69 -49.7 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.277 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 144.19 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.89 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -79.43 157.35 27.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -96.37 -169.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.57 -48.44 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.83 110.26 52.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.9 Cg_exo -60.11 10.85 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -94.95 -4.9 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 136.15 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.1 p90 -126.22 156.36 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.83 -170.56 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.16 147.96 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.7 m -69.48 109.1 3.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.3 Cg_endo -48.25 170.4 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 140.11 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.01 -29.33 11.4 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.04 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -145.5 -44.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -100.15 172.12 7.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 53.3 m -104.06 145.57 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 108.339 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.29 157.26 43.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.87 133.43 11.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.1 mtp -115.49 148.32 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -142.36 158.8 43.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.476 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 57.9 mtp -77.64 159.49 29.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.71 -34.83 78.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -72.7 -102.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.425 ' CG ' HG12 ' A' ' 32' ' ' ILE . 13.1 t0 -77.11 88.05 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -4.1 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.527 HG22 ' CD1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -85.56 -2.2 57.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' HG22 ' A' ' 31' ' ' THR . 0.7 OUTLIER -122.01 94.88 47.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -50.96 143.61 30.27 Favored 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.667 HG23 ' CG ' ' A' ' 35' ' ' LYS . 3.4 m -107.17 -37.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.667 ' CG ' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -131.76 136.42 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -146.46 108.49 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.86 -144.35 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 36.4 m -128.26 160.15 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.85 168.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -98.64 -36.64 9.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.56 144.1 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -75.47 111.33 13.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.275 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -63.67 160.18 37.65 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -75.43 141.24 43.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -85.49 149.47 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -118.35 170.57 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.4 mt -85.83 13.52 7.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.14 -43.75 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' PHE . 1.8 p -130.71 148.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' MET . 1.2 tttm -114.71 137.51 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -108.8 139.86 43.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -135.35 128.72 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.8 m -103.38 162.9 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 108.314 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.31 136.66 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.533 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -101.09 9.68 41.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.6 p -94.36 161.12 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.07 157.14 24.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.1 mtm180 38.39 39.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.236 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.3 p -84.61 -49.7 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.63 145.14 44.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -135.32 170.31 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.457 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -83.33 159.65 21.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -96.31 -169.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.37 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.81 -48.25 8.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.91 110.5 53.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.2 Cg_exo -59.84 10.11 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -94.89 -3.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.87 133.38 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.4 p90 -125.38 159.59 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -135.56 -171.19 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.4 139.86 33.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 74.4 m -66.72 114.46 17.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.1 Cg_endo -47.72 172.42 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.59 137.98 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.79 -23.24 17.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -121.29 103.36 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -107.19 -10.36 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -92.5 168.15 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.479 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 20.2 m -121.82 144.11 49.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -135.38 156.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 23.7 ttpt -153.37 123.32 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.699 ' O ' HG12 ' A' ' 34' ' ' VAL . 31.2 mtt -101.21 134.48 44.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 91.6 m-85 -121.95 131.29 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.558 ' HA ' HG22 ' A' ' 49' ' ' VAL . 51.4 mtp -83.43 156.65 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mmm -63.87 -33.92 76.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 t -64.25 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.77 71.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 26' ' ' MET . 24.6 mt -71.49 -6.47 40.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -85.44 -27.06 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.88 131.31 23.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 29.7 Cg_endo -56.79 168.25 2.48 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 24' ' ' MET . 3.3 p -116.51 -32.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -136.75 142.66 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -151.81 107.82 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 -157.43 8.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.53 159.37 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 2.9 tt -155.44 175.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -98.52 -42.52 7.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.6 t -117.97 159.87 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 t -75.86 124.55 88.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.7 Cg_exo -63.93 176.1 2.65 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 6.0 mtpm? -67.33 178.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 54.1 m-80 -154.19 128.51 9.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -126.57 172.62 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.941 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.8 -2.42 43.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -98.56 -49.35 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.27 131.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.09 162.05 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-85 -131.18 145.73 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.31 116.01 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.6 157.08 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 108.316 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.76 161.8 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.41 2.94 6.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -93.33 160.52 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.1 m-20 -74.23 157.82 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASP . 18.4 mtt180 37.69 42.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.6 p -85.11 -49.08 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.3 pp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.584 ' CG ' HG23 ' A' ' 13' ' ' THR . 1.6 mtmp? -122.84 143.41 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.76 158.88 43.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 108.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.6 m-20 -67.0 157.71 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.1 mmpt? -96.36 -168.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.84 -48.22 8.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' CG1' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -97.71 110.34 54.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.3 Cg_exo -59.89 13.15 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.55 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -94.8 -7.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 136.94 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 38.1 p90 -123.59 157.52 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -136.35 -169.59 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.584 HG23 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -92.11 145.55 24.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.461 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 62.8 m -67.98 126.55 92.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.28 169.66 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.75 137.11 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 -26.58 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 12.5 mmtt -91.4 150.32 21.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -145.72 -40.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 15.2 mt -84.67 152.83 23.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 9.9 m -104.63 143.78 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.4 p90 -134.8 158.23 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 24' ' ' MET . 0.3 OUTLIER -156.97 114.12 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.578 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.42 130.77 40.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 17.7 m-30 -116.24 135.67 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.539 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 6.5 mtt -74.9 151.78 38.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmm -62.28 -33.47 74.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 t -67.63 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.16 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.507 ' OD1' HG22 ' A' ' 31' ' ' THR . 13.0 t0 -75.5 80.5 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 26' ' ' MET . 18.0 mt -75.25 -14.88 60.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.36 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.507 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.6 t -86.83 1.51 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.462 ' HA ' HD13 ' A' ' 32' ' ' ILE . 3.9 mm -146.64 108.95 4.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 53.8 Cg_exo -47.38 170.93 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 24' ' ' MET . 2.7 p -127.37 -39.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -138.94 134.88 33.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH2' ' HA ' ' A' ' 60' ' ' ASN . 24.4 mtp85 -145.84 127.76 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.7 -174.24 45.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 11.7 m -110.21 156.03 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.484 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 tt -156.76 173.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -87.98 -45.31 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.9 118.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 108.294 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 3.6 Cg_exo -75.89 170.55 19.91 Favored 'Trans proline' 0 CA--C 1.569 2.235 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -75.77 143.4 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -85.45 151.1 24.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -125.24 171.73 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.1 mt -84.27 6.42 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -115.82 -45.5 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.591 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -131.11 130.5 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 138.31 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 49' ' ' VAL . 8.2 m-85 -104.57 122.22 45.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.71 121.33 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 m -96.6 160.63 14.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.1 p -165.22 137.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -107.17 5.76 28.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.371 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -94.38 161.17 14.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -79.35 161.81 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 mpt_? 38.2 37.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.5 p -85.14 -48.38 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 2.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.576 HD13 ' OD1' ' A' ' 57' ' ' ASP . 2.8 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -109.72 142.65 40.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 4.5 m -137.41 167.32 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.7 m-20 -80.24 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.03 -156.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -43.01 -36.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.735 HG13 ' HD2' ' A' ' 8' ' ' PRO . 7.8 t -139.97 147.94 52.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.735 ' HD2' HG13 ' A' ' 7' ' ' VAL . 24.2 Cg_exo -60.54 14.67 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.733 HG22 HG12 ' A' ' 7' ' ' VAL . 6.3 tp -94.99 -10.18 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 124.13 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.1 p90 -125.44 153.48 43.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -136.03 -170.78 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.17 142.61 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 98.5 m -67.0 109.07 2.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.307 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.15 173.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.44 136.5 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.94 -28.31 11.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 39' ' ' ILE . 16.3 mttt -107.52 118.46 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -110.89 -25.75 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -100.84 162.32 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -104.31 147.12 27.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.0 p90 -135.39 159.32 41.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -155.04 122.57 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.5 mtp -106.47 132.29 52.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 5.0 m-85 -128.5 163.25 25.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.627 ' HG3' HG11 ' A' ' 34' ' ' VAL . 35.1 mtp -85.48 157.92 20.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mmt -64.55 -35.7 81.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.5 t -71.23 -97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.083 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.952 ' OD2' HD12 ' A' ' 32' ' ' ILE . 15.9 t0 -75.71 80.33 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -15.71 61.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.536 HG22 ' OD1' ' A' ' 29' ' ' ASP . 3.9 t -86.27 8.17 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.952 HD12 ' OD2' ' A' ' 29' ' ' ASP . 2.5 mt -136.66 90.44 16.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 44.2 Cg_exo -52.25 154.92 10.1 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG23 ' HG3' ' A' ' 35' ' ' LYS . 11.1 m -116.93 -33.38 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.699 ' HG3' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -136.74 140.85 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -152.58 110.35 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.27 -142.11 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 27.7 m -132.07 163.6 28.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.417 ' N ' ' HB3' ' A' ' 18' ' ' LYS . 1.1 tt -153.28 172.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -100.84 -38.73 8.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -123.86 145.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.93 111.27 13.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.68 161.16 36.87 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.7 134.18 40.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 3.6 m-80 -85.51 154.18 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.0 p -122.92 175.04 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.17 8.59 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.37 -49.7 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.542 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -128.8 156.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -116.73 137.24 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.1 m-85 -107.39 138.98 42.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.81 129.03 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -108.83 162.56 14.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 108.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -158.31 162.13 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -126.35 2.46 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 p -93.54 160.63 14.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.576 ' OD1' HD13 ' A' ' 1' ' ' LEU . 31.3 m-20 -76.17 158.62 31.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 mtp180 37.53 41.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.6 p -84.21 -49.68 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 3.9 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.682 ' CG ' HG23 ' A' ' 13' ' ' THR . 4.0 mttt -127.07 144.82 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 32.5 m -135.42 165.02 26.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.482 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 6.6 m-20 -74.19 167.17 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -42.74 -35.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.526 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.48 143.75 48.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.526 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.87 9.27 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.72 -4.96 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 124.85 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.7 p90 -128.74 152.3 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -136.53 -178.82 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -87.95 151.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -71.23 109.09 4.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.52 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.11 167.33 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.149 3.096 . . . . 0.0 120.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.05 136.64 58.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.64 -26.16 25.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -94.66 160.8 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -145.62 -44.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 55' ' ' ASN . 5.6 mt -100.31 162.82 12.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -104.83 146.28 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -132.75 138.01 47.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 60' ' ' ASN . 7.4 ptmt -131.78 109.77 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.56 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 11.1 mtt -96.6 153.9 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.753 ' HA ' HG12 ' A' ' 34' ' ' VAL . 12.2 m-85 -145.38 137.26 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 5.8 mtp -74.45 155.95 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 16.7 mmm -64.29 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -64.6 -89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.14 70.72 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 27' ' ' MET . 16.0 mt -73.53 -6.8 48.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.693 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.72 -21.77 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.693 ' CG1' HG22 ' A' ' 31' ' ' THR . 0.8 OUTLIER -133.01 132.98 22.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.7 Cg_endo -55.44 168.49 1.47 Allowed 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.753 HG12 ' HA ' ' A' ' 25' ' ' PHE . 6.9 p -123.77 -35.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -137.26 138.64 40.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -148.74 118.68 7.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.19 -159.15 21.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 22.5 m -119.14 157.33 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.444 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 1.1 tt -155.77 165.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.46 -46.5 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.66 130.19 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -71.67 131.63 85.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 3.7 Cg_exo -76.05 164.19 31.84 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 10.1 mttt -75.31 145.51 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -84.41 149.54 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.9 p -120.75 174.53 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.5 mt -84.19 8.28 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.3 mt -111.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.4 m -128.78 153.53 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -112.52 149.13 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' HG23 ' A' ' 49' ' ' VAL . 20.5 m-30 -122.86 146.29 47.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.48 134.22 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 m -96.31 159.03 15.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.2 p -165.26 133.25 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -108.05 3.37 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -94.37 165.55 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 33.0 m-20 -79.63 161.98 25.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 13.5 mtm180 38.03 39.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -84.84 -49.56 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.772 ' HG3' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -125.9 143.2 51.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -137.56 172.3 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 108.325 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.7 m-20 -75.03 156.85 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.4 mmpt? -96.44 -169.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.26 -47.68 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.719 HG12 HG22 ' A' ' 9' ' ' ILE . 1.9 t -97.51 109.97 52.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.6 Cg_exo -60.03 12.3 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.719 HG22 HG12 ' A' ' 7' ' ' VAL . 1.5 tt -94.26 -7.85 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.1 138.74 16.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.3 p90 -123.16 156.3 35.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -136.44 -174.07 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.772 HG23 ' HG3' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -84.95 151.76 23.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.17 124.57 91.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 108.322 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -48.62 166.76 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.3 144.11 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 -26.32 8.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 165.01 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -145.63 -42.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 176.5 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 23.5 m -101.78 144.41 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 24' ' ' MET . 2.1 t80 -136.29 136.05 39.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -132.12 161.34 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 22' ' ' TYR . 5.9 mtp -136.21 130.59 33.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 9.0 m-85 -127.73 143.08 51.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 61.9 mtp -74.34 157.07 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 mmt -63.63 -35.2 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -66.09 -101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -76.46 85.0 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 26' ' ' MET . 3.8 mt -73.71 -15.71 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -87.17 7.24 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.571 ' O ' HG22 ' A' ' 32' ' ' ILE . 1.3 mm -139.9 94.67 8.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.28 152.18 8.59 Favored 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 35' ' ' LYS . 4.4 p -110.7 -43.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 34' ' ' VAL . 25.3 mmtt -138.75 144.3 39.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -149.68 137.06 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.83 -150.22 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 57.5 m -122.49 163.82 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -155.63 164.62 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -91.77 -52.55 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.668 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.6 t -111.34 140.86 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.1 t -76.65 108.71 6.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 6.4 Cg_exo -72.99 162.45 40.96 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -75.44 142.79 42.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.3 163.66 18.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -120.92 173.81 7.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.078 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 2.54 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.4 mm? -104.3 -52.69 2.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.29 162.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.69 138.15 52.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 20.3 m-30 -104.49 141.31 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.46 136.01 55.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 40.5 m -117.88 147.39 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -148.0 142.67 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.81 7.14 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -94.28 160.45 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.12 161.03 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 57.5 mtm180 36.37 37.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -85.6 -49.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -113.17 144.33 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 5.7 m -136.02 166.04 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.453 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -80.42 156.84 26.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -169.83 2.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -43.29 -47.47 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.3 109.81 51.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.4 Cg_exo -60.06 10.25 0.06 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.4 pp -95.08 -3.87 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 137.32 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 26.0 p90 -130.93 159.14 38.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.6 -159.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 142.82 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 72.3 m -69.4 109.39 4.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 108.239 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.45 176.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.87 136.99 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.29 -27.69 18.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -94.67 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -145.49 -44.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 55' ' ' ASN . 4.6 mt -99.78 167.54 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.6 m -112.43 147.45 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -134.1 144.39 48.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 25' ' ' PHE . 2.3 ptmt -138.8 116.11 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 34' ' ' VAL . 65.9 mtp -94.32 139.92 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 90.9 m-85 -136.2 139.98 43.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.518 ' O ' HD23 ' A' ' 30' ' ' LEU . 54.4 mtp -74.91 159.01 32.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 mmt -64.11 -37.35 87.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -65.34 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.45 76.98 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 26' ' ' MET . 15.6 mt -69.94 -8.41 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.57 -28.29 24.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -108.8 121.26 43.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.582 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 43.0 Cg_endo -63.36 161.85 29.38 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 24' ' ' MET . 6.3 p -114.99 -34.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -142.92 137.33 29.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.379 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -145.36 111.41 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.79 -153.92 7.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 m -116.82 162.7 17.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -155.41 157.84 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -82.07 -42.73 18.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -124.68 164.92 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.9 t -75.18 129.24 83.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 11.1 Cg_exo -69.61 177.32 5.59 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 54.8 mttt -72.71 -178.75 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 57.5 m-80 -154.07 131.35 11.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.4 p -125.58 176.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -84.91 7.6 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.4 mt -108.68 -49.11 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.75 135.16 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -103.17 145.23 30.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.9 m-85 -118.0 140.86 49.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -134.44 121.9 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.408 ' SG ' ' CD ' ' A' ' 43' ' ' PRO . 60.5 m -98.35 154.42 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 p -151.65 146.67 25.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -113.16 6.93 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 74.4 p -94.71 162.24 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -76.58 157.82 31.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 89.2 mtt180 37.68 43.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 30.7 p -85.34 -49.51 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 4.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.09 143.97 45.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 8.2 m -136.31 162.99 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.208 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-80 -76.18 157.77 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -95.78 -169.93 2.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 7.7 tp -43.34 -48.53 6.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.86 110.41 53.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.4 Cg_exo -59.82 9.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.152 3.097 . . . . 0.0 120.152 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -93.36 -4.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.14 133.56 12.73 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -124.06 159.55 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -135.64 -162.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.42 144.89 31.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 80.1 m -64.61 108.53 2.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.226 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -47.95 174.6 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.35 137.99 57.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.53 -29.01 8.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 6.1 mptt -90.77 155.05 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -145.69 -44.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 19.1 mt -100.52 161.13 13.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.49 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -104.53 145.38 30.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.47 142.94 50.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -137.13 122.82 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.6 mtp -110.56 149.2 30.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.556 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.8 m-85 -135.11 152.26 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.616 ' CG ' HG21 ' A' ' 34' ' ' VAL . 47.9 mtp -78.18 162.84 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mmm -62.87 -37.18 85.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -65.91 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.901 ' OD2' HD12 ' A' ' 32' ' ' ILE . 13.9 t0 -75.98 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 26' ' ' MET . 7.3 mt -69.35 -9.84 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.233 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -28.29 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.901 HD12 ' OD2' ' A' ' 29' ' ' ASP . 10.8 mt -101.94 108.3 55.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 50.2 Cg_exo -49.59 163.28 0.47 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.616 HG21 ' CG ' ' A' ' 26' ' ' MET . 0.5 OUTLIER -127.47 -39.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.613 ' HG2' HG13 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.33 134.99 46.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NH2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -146.69 109.52 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.363 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.83 -169.14 26.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.7 m -113.12 153.65 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 7.8 tt -156.15 169.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -82.91 -46.03 13.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -125.52 141.28 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -75.27 136.74 72.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 4.5 Cg_exo -76.48 165.54 28.92 Favored 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -75.8 144.29 41.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 9.9 m-80 -85.67 145.26 27.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -120.16 175.69 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt -84.72 8.44 17.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -108.68 -54.62 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.9 m -131.21 143.93 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' MET . 2.8 ttpt -98.69 136.7 38.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.0 m-85 -104.67 143.81 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.59 152.14 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.9 m -112.21 159.88 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 108.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.1 p -165.15 125.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -99.67 4.78 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -93.53 163.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 2.0 m-20 -81.94 163.96 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 54.6 mtm180 38.26 38.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.49 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 31.0 p -85.61 -49.6 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 108.256 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 19' ' ' ASN . 8.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -123.26 144.7 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.1 m -135.43 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 108.233 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-20 -79.56 171.38 15.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -95.09 -163.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tp -42.86 -35.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.618 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.34 145.62 56.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.618 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.61 9.9 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -93.7 -6.1 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.95 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.7 p90 -126.78 150.65 49.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 -174.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.467 ' HA ' ' CG ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -97.72 150.33 21.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.455 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 91.7 m -73.11 108.64 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.259 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.24 169.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.185 3.11 . . . . 0.0 120.185 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -58.98 139.82 56.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.88 9.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.5 mttp -97.81 163.32 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.682 ' O ' HD13 ' A' ' 1' ' ' LEU . 20.5 t30 -145.55 -43.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.23 169.04 10.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 15.5 m -103.86 146.46 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -123.05 150.22 43.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -134.03 115.86 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 34' ' ' VAL . 82.6 mtp -99.17 127.16 45.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.9 m-85 -132.13 151.35 51.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.585 ' HA ' HG22 ' A' ' 49' ' ' VAL . 38.0 mtp -84.94 159.1 20.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.6 mmm -64.8 -36.08 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.992 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD2' HD12 ' A' ' 32' ' ' ILE . 5.4 t0 -76.93 82.76 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.81 -10.19 59.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.78 31.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 32' ' ' ILE . 10.7 mt -114.38 98.87 50.02 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 51.0 Cg_exo -48.48 150.8 5.39 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' MET . 0.1 OUTLIER -105.42 -46.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -142.94 152.23 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 11.4 mtm180 -151.71 127.95 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.24 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.47 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -164.39 -147.94 5.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 19.2 m -124.41 163.77 21.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.576 HG21 ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -152.44 164.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.92 -40.67 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -125.52 143.66 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.67 107.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HD3' HG21 ' A' ' 39' ' ' ILE . 18.4 Cg_exo -64.2 153.49 76.12 Favored 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 135.67 40.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -85.44 153.67 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -116.78 178.11 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.83 7.88 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.59 -55.01 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -130.57 145.56 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -105.94 138.69 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE1' HG12 ' A' ' 49' ' ' VAL . 7.0 m-85 -108.29 126.53 52.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.592 HG21 ' CE2' ' A' ' 25' ' ' PHE . 2.0 t -106.31 172.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 52' ' ' VAL . 58.0 m -144.37 147.09 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.341 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 p -153.72 134.61 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.88 8.13 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.382 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -94.15 166.87 11.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.27 160.45 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 38.91 36.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p -85.09 -48.81 8.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.94 142.71 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.5 m -137.35 162.4 33.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.78 163.66 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.92 -163.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -42.43 -33.09 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.63 HG12 ' H ' ' A' ' 9' ' ' ILE . 1.9 t -134.57 141.1 37.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.4 Cg_exo -61.58 9.35 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.63 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -95.51 -3.79 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.64 129.8 10.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -133.91 153.36 51.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.444 ' CD ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.79 -171.72 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.81 145.87 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.0 m -75.33 110.9 11.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.44 165.58 0.16 Allowed 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -59.92 139.35 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -28.66 14.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.48 117.9 24.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -111.64 -8.98 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.1 mt -99.17 159.17 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 m -112.1 145.56 39.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -135.78 152.78 51.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.31 123.32 12.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 51.8 mtt -97.13 139.32 33.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -133.68 147.65 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.617 ' HA ' HG22 ' A' ' 49' ' ' VAL . 60.5 mtm -76.07 156.06 34.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.659 ' O ' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -63.51 -38.89 92.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 t -69.04 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.628 ' OD2' HD13 ' A' ' 32' ' ' ILE . 21.0 t0 -75.69 75.65 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.659 HD11 ' O ' ' A' ' 27' ' ' MET . 0.8 OUTLIER -73.23 -12.77 60.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.479 HG23 HD12 ' A' ' 32' ' ' ILE . 3.9 t -85.59 5.6 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.628 HD13 ' OD2' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -139.77 125.1 11.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.21 160.31 35.26 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -120.16 -41.32 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.64 151.86 49.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.373 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -148.96 111.68 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.32 -158.02 9.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.7 m -125.14 156.5 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.09 177.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -45.29 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.414 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -119.27 152.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.14 110.74 10.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.1 Cg_exo -63.45 152.51 79.77 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.69 131.49 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -86.06 160.53 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -123.79 177.12 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -85.84 12.98 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.0 mt -115.28 -54.09 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -130.61 142.18 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -102.56 137.48 40.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 49' ' ' VAL . 4.5 m-85 -109.67 124.88 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.8 t -106.68 161.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.84 161.8 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -161.7 158.53 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -125.32 0.85 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -94.12 164.19 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -77.38 161.11 28.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 65.1 mtp180 36.96 42.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -84.61 -50.19 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.469 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 30.5 mttt -118.86 144.17 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -136.0 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -78.16 165.94 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.93 -157.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -37.51 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.565 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.56 144.83 52.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.83 9.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -95.18 -4.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.34 119.06 5.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.8 p90 -127.02 151.49 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.56 -166.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.38 141.32 36.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.577 ' HB2' HD12 ' A' ' 1' ' ' LEU . 57.9 m -64.8 108.19 1.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.7 Cg_endo -48.99 171.29 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.81 137.46 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.41 -32.65 7.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -95.18 163.87 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.06 -42.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.6 167.79 10.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 10.8 m -103.94 145.35 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -132.09 151.04 51.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.61 129.9 19.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 3.9 mtm -112.56 141.07 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -139.2 152.73 47.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.509 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 8.7 mtt -76.62 159.28 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.8 mmt -63.91 -36.35 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 t -70.72 -98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.907 ' OD2' HD12 ' A' ' 32' ' ' ILE . 11.8 t0 -75.14 87.17 2.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 26' ' ' MET . 4.4 mt -75.85 -13.08 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -6.06 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.907 HD12 ' OD2' ' A' ' 29' ' ' ASP . 10.0 mt -119.69 93.26 47.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -50.38 153.43 7.3 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 120.128 3.088 . . . . 0.0 120.128 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -116.15 -39.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -135.84 136.26 40.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -149.27 113.66 5.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.23 2.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.5 m -130.84 162.81 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -151.62 168.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.1 -40.73 8.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.54 150.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -75.57 111.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.265 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.66 160.3 37.01 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -75.08 136.56 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.591 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 13.2 m-80 -86.0 149.98 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -120.07 170.99 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.5 11.21 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 3.3 mp -115.34 -46.96 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.655 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -130.44 153.32 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 144.38 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.236 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.655 ' CE1' HG23 ' A' ' 49' ' ' VAL . 2.9 m-85 -118.98 140.12 50.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.15 140.65 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.2 m -114.11 160.11 19.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -160.35 133.09 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 5.86 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 p -94.28 160.17 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -81.37 162.55 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 43.4 mtm180 37.53 36.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.87 -48.77 8.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.497 HD13 ' ND2' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -121.23 144.78 48.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -135.32 175.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 108.386 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -82.41 167.49 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -94.6 -162.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -42.34 -35.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.522 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.4 143.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.522 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.7 10.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -93.12 -7.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.03 123.69 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.9 p90 -126.41 151.46 47.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.29 -175.05 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.65 145.75 24.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 99.1 m -66.92 108.83 2.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 108.241 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.41 169.88 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -64.65 129.93 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.58 -24.49 21.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -128.88 130.05 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.497 ' ND2' HD13 ' A' ' 1' ' ' LEU . 13.2 t-20 -117.18 -28.94 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.07 158.23 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -104.57 145.61 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 2.7 p90 -135.68 149.06 49.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HE2' HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -145.89 113.8 6.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.243 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 28.4 mtt -99.43 146.59 26.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 20.3 m-85 -138.59 147.15 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.515 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 81.0 mtp -75.02 154.91 37.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 20.0 mmm -64.41 -38.99 92.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -75.35 -79.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.68 68.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 26' ' ' MET . 20.7 mt -73.54 -13.69 61.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.897 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.6 t -86.28 6.27 30.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.364 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -148.95 136.52 11.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 4.7 Cg_exo -76.71 159.3 35.22 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.088 3.072 . . . . 0.0 120.088 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -115.41 -36.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -137.68 131.04 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.2 103.29 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.47 -134.97 1.8 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 33.4 m -137.36 164.18 29.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.417 ' N ' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -154.47 171.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -101.32 -31.96 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.58 146.49 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.5 t -76.24 111.53 15.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.5 Cg_exo -63.95 152.44 80.84 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -74.97 140.06 43.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.9 152.05 23.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -124.34 168.94 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.08 3.1 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.7 mt -103.65 -51.17 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.0 m -130.96 165.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' MET . 12.7 ttpt -124.52 139.91 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE1' HG23 ' A' ' 49' ' ' VAL . 3.9 m-85 -114.24 141.93 46.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG11 ' HE2' ' A' ' 23' ' ' LYS . 2.6 t -134.31 121.61 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 20.8 m -94.35 164.67 12.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -164.09 137.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.236 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.17 4.65 42.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -93.81 167.95 11.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.382 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.29 163.79 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 37.9 37.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.3 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.774 ' HG3' HG23 ' A' ' 13' ' ' THR . 1.1 mptt -114.52 143.5 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m -136.21 163.43 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -78.79 157.01 28.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -96.38 -167.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.425 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.6 tp -43.27 -49.0 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.391 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.61 109.81 50.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.8 Cg_exo -60.05 10.45 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.137 3.091 . . . . 0.0 120.137 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.55 -4.48 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.46 134.97 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 51.3 p90 -127.36 156.94 41.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -136.35 -178.86 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.774 HG23 ' HG3' ' A' ' 2' ' ' LYS . 1.5 m -84.78 141.68 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 99.6 m -66.18 110.07 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 108.273 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.501 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.07 174.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.65 140.11 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.01 -31.26 6.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 160.92 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -145.62 -43.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.12 171.85 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 2.6 m -103.4 147.76 26.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 108.266 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -132.23 145.72 51.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.49 125.5 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 38.5 mtt -112.05 139.38 47.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -132.53 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.414 ' HA ' HG22 ' A' ' 49' ' ' VAL . 35.7 mtp -76.24 159.15 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -63.65 -37.07 85.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 t -68.66 -98.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.534 ' CG ' HD12 ' A' ' 32' ' ' ILE . 7.1 t0 -76.13 83.59 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -13.19 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.9 p -86.27 -2.12 58.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.534 HD12 ' CG ' ' A' ' 29' ' ' ASP . 2.9 mt -129.49 100.4 19.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 52.8 Cg_exo -50.17 151.12 9.6 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' MET . 0.1 OUTLIER -111.37 -39.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -136.91 139.15 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 33' ' ' PRO . 19.2 mtp180 -146.22 124.99 12.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.47 -158.97 21.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 79.6 m -110.79 164.46 12.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -154.72 166.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.39 -41.52 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.98 142.83 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.1 t -75.78 110.84 11.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 16.7 Cg_exo -65.3 161.65 36.82 Favored 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.075 3.067 . . . . 0.0 120.075 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -74.78 135.64 41.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.587 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 6.2 m-80 -85.95 150.2 24.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -120.53 174.66 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.44 10.69 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.36 -50.92 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.47 146.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' MET . 14.0 tttt -106.22 147.37 29.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 3.9 m-85 -120.0 137.84 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.24 120.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 10.5 m -106.09 153.26 22.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 108.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.0 p -150.67 148.13 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 108.231 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.612 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -108.18 12.75 26.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -94.11 159.41 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -77.74 148.3 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.6 mtp180 36.36 45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.55 -51.45 8.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.876 HD13 ' O ' ' A' ' 55' ' ' ASN . 13.7 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.492 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 2.6 mtmt -114.35 143.71 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.45 163.98 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 1.7 m120 -74.39 154.84 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -168.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.04 -48.41 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.9 t -97.31 110.09 52.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.8 Cg_exo -60.21 11.58 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -95.04 -5.76 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.17 138.88 17.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 21.3 p90 -125.85 162.15 25.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.28 -168.68 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -105.83 140.77 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 71.3 m -75.1 110.01 9.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -48.09 169.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.43 141.93 58.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.0 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -145.28 85.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.7 t30 -101.21 6.27 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 40' ' ' ASP . 17.0 mt -88.81 152.59 21.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.8 m -106.32 142.59 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -135.38 155.74 50.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 127.34 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -114.09 141.75 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.943 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -134.69 156.09 49.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 68.0 mtp -79.04 161.25 26.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.3 mmt -64.72 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -71.58 -97.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 5.5 t0 -73.54 81.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.8 -14.46 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.439 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 5.2 t -86.49 4.67 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.7 mm -129.9 96.21 26.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -45.7 155.02 0.55 Allowed 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -118.3 -41.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' C ' ' HG2' ' A' ' 36' ' ' ARG . 15.8 mttt -136.55 133.37 36.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' C ' ' A' ' 35' ' ' LYS . 2.8 mmm180 -142.23 121.02 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.83 -162.47 27.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.7 m -108.64 154.53 21.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 tt -145.79 174.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.6 p-10 -100.85 -53.68 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.15 148.72 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.9 t -75.41 121.71 85.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 5.9 Cg_exo -73.46 154.93 50.69 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.54 135.7 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.544 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 m-80 -85.49 155.41 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 p -124.55 174.65 7.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.1 7.47 18.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' MET . 13.6 mt -108.17 -50.72 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.594 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -130.47 156.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.82 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.8 m-85 -111.16 138.82 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.28 122.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -103.9 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 108.276 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -163.66 146.99 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.876 ' O ' HD13 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -111.88 9.25 20.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 p -93.33 160.89 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m-20 -77.78 154.54 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASP . 40.3 mtm180 37.0 44.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p -85.41 -49.68 7.91 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.102 . . . . 0.0 108.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.422 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.0 143.82 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.4 m -136.29 164.01 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -70.77 149.69 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -96.22 -163.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -42.96 -49.13 6.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.249 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.455 HG12 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -97.25 109.8 51.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 24.7 Cg_exo -60.59 9.64 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.139 0 N-CA-C 120.168 3.103 . . . . 0.0 120.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 HG12 ' A' ' 7' ' ' VAL . 1.4 tt -96.01 -3.13 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.06 138.15 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -120.93 161.92 20.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -135.77 178.4 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.64 151.29 24.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 95.3 m -74.95 108.82 6.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.13 171.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.25 137.57 58.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.44 -30.28 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CE ' ' HG2' ' A' ' 15' ' ' PRO . 9.2 mtmt -103.21 155.51 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -145.66 -42.4 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.24 165.44 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 8.5 m -105.33 142.64 34.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -136.73 158.53 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.44 142.13 25.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.46 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.6 mtm -121.1 130.69 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 5.5 m-85 -132.81 158.04 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.722 ' HA ' HG22 ' A' ' 49' ' ' VAL . 52.9 mtm -83.68 155.24 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -64.17 -33.81 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -73.46 -98.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' HD13 ' A' ' 32' ' ' ILE . 12.7 t0 -73.64 77.93 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -71.71 -16.15 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.502 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -86.55 11.74 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -140.62 92.73 8.9 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 161.83 6.38 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.53 HG23 ' CG ' ' A' ' 35' ' ' LYS . 6.3 m -124.76 -42.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.9 mttp -131.17 138.64 49.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 60' ' ' ASN . 40.3 mtt-85 -155.25 112.87 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.81 -143.66 3.76 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 59.7 m -117.81 166.4 12.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.61 170.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -45.16 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.432 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -124.67 147.72 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -70.88 109.78 5.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.67 155.5 62.89 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 134.26 43.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.594 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 17.1 m-80 -86.03 157.26 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -121.46 173.52 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.888 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.26 13.74 7.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 -49.17 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.722 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -129.71 155.8 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.94 153.61 28.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' HG12 ' A' ' 49' ' ' VAL . 2.5 m-85 -131.99 124.17 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.505 HG21 ' HE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -107.68 149.55 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -124.88 155.14 39.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 108.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 p -155.83 167.24 31.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -127.75 2.27 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.3 p -94.4 166.74 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.0 m-20 -82.15 162.93 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' ASP . 23.8 mtm180 36.99 35.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.8 p -85.92 -49.86 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 108.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.466 HD22 ' OD1' ' A' ' 19' ' ' ASN . 10.5 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -116.15 143.67 45.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -136.18 164.03 29.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.538 1.148 . . . . 0.0 108.253 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -75.59 165.67 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.63 -158.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -37.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 8' ' ' PRO . 7.3 t -137.0 146.28 54.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 7' ' ' VAL . 23.7 Cg_exo -61.0 14.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.595 HG23 HG12 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -96.64 -7.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.06 127.77 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.4 p90 -132.3 150.3 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.59 178.54 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.46 149.23 25.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -73.92 120.25 80.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 17.7 Cg_endo -47.65 175.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.255 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.41 137.65 58.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.39 0.32 66.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.78 104.91 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.466 ' OD1' HD22 ' A' ' 1' ' ' LEU . 26.4 t30 -111.2 -18.38 12.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.07 163.83 16.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.9 m -119.77 141.01 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -136.55 151.26 49.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -148.35 125.1 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.792 ' O ' HG12 ' A' ' 34' ' ' VAL . 67.5 mtp -94.44 141.46 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 33' ' ' PRO . 50.4 m-85 -134.94 135.42 41.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 mtp -74.84 158.28 33.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -63.15 -35.41 80.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -64.08 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' HD12 ' A' ' 32' ' ' ILE . 12.9 t0 -75.89 79.35 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.5 -8.99 57.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.03 -24.78 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.411 HD12 ' OD2' ' A' ' 29' ' ' ASP . 9.5 mt -113.95 121.03 37.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 42.4 Cg_endo -63.22 161.92 28.62 Favored 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.169 3.103 . . . . 0.0 120.169 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 24' ' ' MET . 5.6 p -113.69 -36.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 34' ' ' VAL . 16.1 mmtp -138.33 146.94 42.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -151.45 111.92 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.237 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.23 -149.35 5.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -129.47 160.65 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.79 -179.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -100.67 -46.27 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -124.25 158.96 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -71.47 111.29 9.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 22.2 Cg_exo -62.68 174.42 2.92 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 20.1 mttt -67.83 176.65 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.524 ' HA ' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -153.21 140.26 19.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -118.23 178.11 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -84.39 6.9 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 mt -108.06 -49.09 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.5 m -127.56 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -111.78 144.9 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.4 m-85 -113.49 122.87 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.093 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.19 115.57 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 m -94.13 161.28 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -161.99 158.13 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.8 3.89 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 52.8 p -93.95 161.93 14.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -75.14 157.31 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER 37.96 44.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.6 p -85.63 -49.54 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.235 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.7 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -116.18 143.5 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.59 172.43 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.249 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 m-20 -81.37 165.42 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -93.65 -161.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.71 -35.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.377 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.458 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.2 141.86 40.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD2' HG12 ' A' ' 7' ' ' VAL . 23.1 Cg_exo -61.64 10.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.053 3.059 . . . . 0.0 120.053 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -92.45 -8.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.22 121.66 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.3 p90 -122.2 154.42 37.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -135.92 -166.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.81 150.25 25.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 58.2 m -75.43 108.44 5.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 18.5 Cg_endo -48.91 177.95 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 120.046 3.056 . . . . 0.0 120.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.9 138.82 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.46 -29.28 9.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.7 mttt -87.24 157.03 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -145.65 -45.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.71 167.6 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 6.3 m -104.43 146.35 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -134.68 137.14 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HE3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -134.82 123.02 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.243 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.566 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.2 mtt -105.53 126.8 52.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CE2' ' HE3' ' A' ' 23' ' ' LYS . 9.3 m-30 -115.03 134.19 55.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.532 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 22.7 mtp -74.74 149.7 39.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -70.44 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' HG22 ' A' ' 31' ' ' THR . 10.1 t0 -75.06 81.55 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 26' ' ' MET . 11.9 mt -75.35 -15.17 60.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.497 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -87.05 2.28 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.511 ' HA ' HD13 ' A' ' 32' ' ' ILE . 3.0 mm -144.72 105.51 4.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 50.1 Cg_exo -49.34 164.53 0.3 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 24' ' ' MET . 3.3 p -121.72 -38.22 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -136.58 133.95 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.79 108.94 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.4 -139.93 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 34.4 m -129.92 162.78 27.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.544 HG21 ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -151.64 167.12 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -37.79 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -125.94 132.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 6.5 t -64.32 107.48 1.38 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD3' HG21 ' A' ' 39' ' ' ILE . 17.5 Cg_exo -64.61 154.55 71.57 Favored 'Trans proline' 0 CA--C 1.567 2.134 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 49.2 mttt -75.66 135.03 40.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -82.0 163.16 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -129.12 -179.82 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.8 mt -84.97 4.8 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.18 -53.37 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 24' ' ' MET . 1.7 p -130.51 141.1 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 131.52 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.413 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 12.3 m-85 -104.75 121.34 43.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.15 115.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -94.03 145.75 24.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.088 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -147.37 165.58 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.16 6.1 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -95.13 162.63 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -77.19 155.56 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtm180 38.32 40.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -84.57 -48.23 9.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.4 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.589 HD11 ' C ' ' A' ' 56' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 143.36 45.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -136.57 166.25 23.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.329 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -76.63 154.54 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HG3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.87 -169.16 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.31 -47.27 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.467 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.8 t -97.45 109.59 50.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.2 Cg_exo -60.15 10.34 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.123 3.086 . . . . 0.0 120.123 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.427 HG12 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -94.85 -4.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 139.41 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.3 p90 -130.76 157.52 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CD ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.75 -166.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -99.85 144.22 29.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 77.9 m -64.52 108.1 1.76 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.4 Cg_endo -48.9 170.36 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.04 133.73 55.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.4 -15.04 46.83 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 160.92 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -145.4 -41.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.51 157.74 28.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.9 144.03 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 9.5 p90 -131.59 141.68 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -129.44 123.79 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.699 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.6 mtt -103.15 130.11 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 41.6 m-85 -127.35 151.08 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 62.7 mtp -82.3 163.76 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt -64.67 -38.33 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 t -71.17 -98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' OD2' HD12 ' A' ' 32' ' ' ILE . 5.4 t0 -76.09 84.96 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -11.92 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.99 -13.89 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.49 HD12 ' OD2' ' A' ' 29' ' ' ASP . 8.8 mt -111.82 102.8 54.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -49.94 144.79 20.5 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 24' ' ' MET . 6.2 p -109.08 -38.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' A' ' 34' ' ' VAL . 8.3 mmtt -140.47 145.7 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -146.6 127.79 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.592 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.78 -165.78 33.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.8 m -120.76 165.02 15.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -155.11 -179.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.21 -52.02 3.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -107.95 153.74 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -75.46 109.79 8.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 15.6 Cg_exo -66.1 151.89 82.61 Favored 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -74.67 139.42 43.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -85.52 167.22 15.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -120.97 174.32 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 mt -84.44 7.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.74 -48.76 2.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.606 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.2 m -130.71 161.61 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.6 OUTLIER -122.79 143.91 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CE1' HG23 ' A' ' 49' ' ' VAL . 13.3 m-85 -116.89 120.48 38.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.433 HG12 ' HD3' ' A' ' 23' ' ' LYS . 3.2 t -107.72 136.17 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -101.15 154.03 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.67 130.31 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -95.72 9.76 39.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.589 ' C ' HD11 ' A' ' 1' ' ' LEU . 22.2 p -94.79 160.92 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.5 159.92 22.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.2 mtp180 37.0 39.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.32 -46.38 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.482 ' CG ' ' OG1' ' A' ' 13' ' ' THR . 0.4 OUTLIER -121.06 143.56 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.477 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.5 m -136.64 167.39 21.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 108.257 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.53 155.26 38.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -96.2 -167.27 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.27 -48.27 6.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.704 HG12 HG22 ' A' ' 9' ' ' ILE . 2.0 t -97.27 109.68 50.93 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.2 Cg_exo -60.16 10.99 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.17 3.104 . . . . 0.0 120.17 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 7' ' ' VAL . 4.6 tp -94.93 -5.41 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.23 137.68 15.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 23.3 p90 -126.23 156.76 39.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mttm -136.07 -174.35 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.482 ' OG1' ' CG ' ' A' ' 2' ' ' LYS . 0.9 OUTLIER -84.41 145.16 28.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.435 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 83.2 m -74.19 130.15 83.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 108.347 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 16.3 Cg_endo -47.66 165.22 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.082 3.07 . . . . 0.0 120.082 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -64.62 137.52 57.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.52 -22.4 16.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.538 1.149 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -114.56 108.58 17.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.576 0.81 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -111.23 -3.8 15.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.372 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 20' ' ' LEU . 36.3 mt -100.44 151.76 21.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.488 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 22.1 m -105.41 144.28 32.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.253 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.489 ' CD1' ' C ' ' A' ' 37' ' ' GLY . 7.8 p90 -135.46 153.08 51.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.61 127.05 12.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 26.7 mtp -112.1 145.57 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.579 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.1 m-85 -134.3 132.08 39.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.529 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 60.7 mtp -76.56 157.71 31.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -63.22 -33.26 75.1 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.482 1.114 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -96.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.069 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.607 ' OD2' HD12 ' A' ' 32' ' ' ILE . 19.1 t0 -75.42 76.36 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.529 ' CD2' ' O ' ' A' ' 26' ' ' MET . 25.7 mt -73.68 -10.47 59.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.635 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.97 -18.95 31.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.419 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.635 ' CG1' HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -132.58 114.42 14.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.232 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 66.7 Cg_exo -45.91 167.74 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.527 HG11 ' HG3' ' A' ' 26' ' ' MET . 4.9 p -118.12 -33.11 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' HG3' ' HE2' ' A' ' 24' ' ' MET . 8.1 mmtt -139.04 143.58 38.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -153.95 112.23 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' TYR . . . -165.61 -151.52 6.72 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.508 1.13 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 8.7 m -123.09 157.19 33.39 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -149.52 174.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' CG ' HG23 ' A' ' 41' ' ' VAL . 8.7 p-10 -100.7 -52.6 3.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 HG23 ' CG ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -108.15 150.07 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.7 t -75.81 117.25 62.31 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 108.221 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.511 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 8.3 Cg_exo -70.87 150.8 62.05 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.108 3.08 . . . . 0.0 120.108 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -70.35 133.78 47.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.533 1.146 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.507 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -85.37 153.75 22.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 65.3 p -121.47 174.61 6.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.9 mt -83.6 5.94 22.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.22 -51.15 2.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.653 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -129.75 150.96 35.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.098 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -109.84 134.08 52.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.653 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.6 m-85 -104.89 139.76 39.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' TYR . 2.9 t -134.56 132.53 54.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.8 m -105.54 160.89 14.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 108.303 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -161.55 139.76 9.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 108.25 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.55 7.95 35.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.9 p -94.2 163.95 13.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 158.34 21.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 39.22 40.09 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.488 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -85.32 -47.07 10.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.32 143.91 38.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.1 m -135.89 167.24 21.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 108.314 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.477 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.3 m-20 -78.3 166.96 22.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -95.57 -160.24 0.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.112 . . . . 0.0 109.333 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 tp -42.55 -36.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.652 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.66 146.05 57.44 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.652 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.1 Cg_exo -61.42 9.79 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.1 3.077 . . . . 0.0 120.1 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -94.37 -5.27 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 122.32 6.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 109.365 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.477 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 54.1 p90 -124.83 150.34 46.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 111.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.4 mtpp -136.58 -177.56 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.238 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.41 146.7 23.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 110.439 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.2 m -72.8 109.05 5.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.598 1.186 . . . . 0.0 108.362 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.491 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.03 165.01 0.15 Allowed 'Trans proline' 0 CA--C 1.568 2.179 0 N-CA-C 120.162 3.101 . . . . 0.0 120.162 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.1 122.86 17.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 40' ' ' ASP . . . 120.06 -15.07 10.27 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.508 1.13 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 127.65 21.58 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.475 0.75 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -112.85 -14.91 13.01 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mt -100.76 155.85 17.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 9.1 m -104.74 142.6 34.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.283 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.5 p90 -136.64 151.25 49.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.586 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -143.66 128.38 18.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 44.5 mtm -100.71 128.85 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.586 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 27.5 m-85 -121.07 140.46 51.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 110.922 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.412 ' CG ' ' O ' ' A' ' 61' ' ' HOH . 46.6 mtp -78.94 154.07 29.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 111.04 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.448 ' HA ' HD21 ' A' ' 30' ' ' LEU . 6.6 mmt -64.14 -35.16 79.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -68.98 -99.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' OD1' HG22 ' A' ' 31' ' ' THR . 19.0 t0 -75.54 81.48 2.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.261 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 27' ' ' MET . 0.9 OUTLIER -74.74 -14.6 60.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.534 HG22 ' OD1' ' A' ' 29' ' ' ASP . 3.1 t -86.17 2.79 45.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.398 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.8 mt -140.31 100.32 7.01 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -48.61 152.62 4.03 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.445 HG22 ' CG ' ' A' ' 35' ' ' LYS . 2.3 p -107.87 -43.67 6.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' CG ' HG22 ' A' ' 34' ' ' VAL . 5.8 mttm -140.38 146.17 38.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 1.078 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.416 ' HG2' ' CB ' ' A' ' 23' ' ' LYS . 43.0 mtt180 -152.66 127.61 9.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.244 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -169.58 -145.68 4.75 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 22.5 m -129.87 161.46 30.77 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.5 tt -154.73 176.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 17' ' ' GLY . 1.3 t0 -100.3 -48.42 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.247 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.419 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -110.62 146.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.1 t -75.46 110.83 11.53 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 108.268 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 20.8 Cg_exo -63.63 151.5 84.74 Favored 'Trans proline' 0 CA--C 1.567 2.137 0 N-CA-C 120.133 3.09 . . . . 0.0 120.133 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -73.33 141.52 47.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -85.9 156.61 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -121.84 172.8 7.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.053 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 2.28 24.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.358 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.1 mm? -105.41 -55.56 2.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.6 m -131.48 162.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.97 139.63 50.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.619 ' CE2' ' SD ' ' A' ' 24' ' ' MET . 4.6 m-85 -104.91 123.78 48.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.461 HG11 ' HE2' ' A' ' 23' ' ' LYS . 2.9 t -106.67 157.24 7.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.523 1.139 . . . . 0.0 109.346 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 53.5 m -137.71 160.58 38.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 108.31 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.2 p -164.44 154.86 14.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 108.262 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.67 6.75 11.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 p -94.18 161.74 14.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.414 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -78.13 155.78 30.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtp180 38.09 41.16 0.36 Allowed 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.392 1.058 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.9 p -82.69 -49.7 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.277 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.412 ' O ' ' CG ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 45.8 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.14 144.19 49.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.241 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.89 172.32 13.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.124 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -79.43 157.35 27.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -96.37 -169.12 1.85 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.57 -48.44 7.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.58 1.175 . . . . 0.0 109.323 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -96.83 110.26 52.65 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.076 . . . . 0.0 109.273 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.9 Cg_exo -60.11 10.85 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.164 0 N-CA-C 120.113 3.082 . . . . 0.0 120.113 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.4 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -94.95 -4.9 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 136.15 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.1 p90 -126.22 156.36 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.017 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -135.83 -170.56 2.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.16 147.96 22.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.412 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 87.7 m -69.48 109.1 3.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 108.325 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.3 Cg_endo -48.25 170.4 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.165 0 N-CA-C 120.157 3.099 . . . . 0.0 120.157 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -60.06 140.11 57.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 98.01 -29.33 11.4 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.434 1.084 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.08 164.04 12.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 0.744 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -145.5 -44.59 0.22 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.456 1.097 . . . . 0.0 109.343 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 55' ' ' ASN . 0.7 OUTLIER -100.15 172.12 7.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.359 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 53.3 m -104.06 145.57 29.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 108.339 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -131.29 157.26 43.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -154.87 133.43 11.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.579 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.1 mtp -115.49 148.32 39.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.012 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.588 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -142.36 158.8 43.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.476 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 57.9 mtp -77.64 159.49 29.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.9 mmt -63.71 -34.83 78.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 t -72.7 -102.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.985 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' CG ' HG12 ' A' ' 32' ' ' ILE . 13.1 t0 -77.11 88.05 3.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.161 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.73 -4.1 35.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.527 HG22 ' CD1' ' A' ' 32' ' ' ILE . 0.6 OUTLIER -85.56 -2.2 57.9 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 110.375 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.527 ' CD1' HG22 ' A' ' 31' ' ' THR . 0.7 OUTLIER -122.01 94.88 47.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -50.96 143.61 30.27 Favored 'Trans proline' 0 CA--C 1.567 2.169 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.667 HG23 ' CG ' ' A' ' 35' ' ' LYS . 3.4 m -107.17 -37.58 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.361 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.667 ' CG ' HG23 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -131.76 136.42 47.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -146.46 108.49 4.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -167.86 -144.35 4.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.54 1.15 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 36.4 m -128.26 160.15 33.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -149.85 168.32 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.15 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -98.64 -36.64 9.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.56 144.1 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -75.47 111.33 13.63 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 108.275 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -63.67 160.18 37.65 Favored 'Trans proline' 0 CA--C 1.569 2.24 0 N-CA-C 120.079 3.069 . . . . 0.0 120.079 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -75.43 141.24 43.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.16 . . . . 0.0 109.331 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -85.49 149.47 25.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.5 p -118.35 170.57 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.4 mt -85.83 13.52 7.24 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.14 -43.75 2.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 25' ' ' PHE . 1.8 p -130.71 148.87 33.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.12 . . . . 0.0 109.248 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 24' ' ' MET . 1.2 tttm -114.71 137.51 51.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.579 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.8 m-85 -108.8 139.86 43.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.5 t -135.35 128.72 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.229 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.8 m -103.38 162.9 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 108.314 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.8 p -162.31 136.66 6.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.533 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -101.09 9.68 41.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 7.6 p -94.36 161.12 14.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 110.431 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.07 157.14 24.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 109.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 6.1 mtm180 38.39 39.97 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.236 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.429 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.3 p -84.61 -49.7 8.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 108.295 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.08 . . . . 0.0 109.298 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.409 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -117.63 145.14 44.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -135.32 170.31 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 108.272 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.457 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -83.33 159.65 21.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -96.31 -169.69 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.181 . . . . 0.0 109.37 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.81 -48.25 8.19 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.91 110.5 53.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.25 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.2 Cg_exo -59.84 10.11 0.06 OUTLIER 'Trans proline' 0 CA--C 1.566 2.123 0 N-CA-C 120.167 3.103 . . . . 0.0 120.167 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.3 OUTLIER -94.89 -3.83 10.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.87 133.38 12.83 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.457 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.4 p90 -125.38 159.59 31.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mttm -135.56 -171.19 2.78 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.4 139.86 33.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.399 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.469 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 74.4 m -66.72 114.46 17.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 108.282 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.1 Cg_endo -47.72 172.42 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -63.59 137.98 58.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.79 -23.24 17.74 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.507 1.129 . . . . 0.0 111.066 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 0.1 OUTLIER -121.29 103.36 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.325 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -107.19 -10.36 15.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.4 mt -92.5 168.15 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.479 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 20.2 m -121.82 144.11 49.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 108.285 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -135.38 156.65 48.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE2' ' A' ' 25' ' ' PHE . 23.7 ttpt -153.37 123.32 6.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.699 ' O ' HG12 ' A' ' 34' ' ' VAL . 31.2 mtt -101.21 134.48 44.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 23' ' ' LYS . 91.6 m-85 -121.95 131.29 53.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.558 ' HA ' HG22 ' A' ' 49' ' ' VAL . 51.4 mtp -83.43 156.65 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.416 1.072 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 23.0 mmm -63.87 -33.92 76.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 t -64.25 -94.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -73.77 71.6 1.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' CD2' ' O ' ' A' ' 26' ' ' MET . 24.6 mt -71.49 -6.47 40.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 p -85.44 -27.06 25.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.416 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -129.88 131.31 23.43 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.44 ' HB3' ' CE1' ' A' ' 25' ' ' PHE . 29.7 Cg_endo -56.79 168.25 2.48 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 24' ' ' MET . 3.3 p -116.51 -32.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 mmtp -136.75 142.66 43.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.435 ' CD ' ' HD3' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -151.81 107.82 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.33 -157.43 8.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.8 m -121.53 159.37 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 2.9 tt -155.44 175.66 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -98.52 -42.52 7.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.6 t -117.97 159.87 17.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.468 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.8 t -75.86 124.55 88.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 108.318 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.7 Cg_exo -63.93 176.1 2.65 Favored 'Trans proline' 0 CA--C 1.568 2.176 0 N-CA-C 120.089 3.073 . . . . 0.0 120.089 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.606 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 6.0 mtpm? -67.33 178.57 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.481 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 54.1 m-80 -154.19 128.51 9.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 87.8 p -126.57 172.62 10.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.941 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.7 mt -79.8 -2.42 43.25 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.3 mp -98.56 -49.35 4.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.563 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.27 131.39 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -102.09 162.05 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CD1' ' O ' ' A' ' 44' ' ' LYS . 4.6 m-85 -131.18 145.73 52.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.0 t -134.31 116.01 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.4 m -94.6 157.08 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 108.316 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.1 p -154.76 161.8 41.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 108.33 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -127.41 2.94 6.28 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.3 p -93.33 160.52 14.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.424 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 58' ' ' ARG . 12.1 m-20 -74.23 157.82 35.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.57 1.169 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' ASP . 18.4 mtt180 37.69 42.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.69 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.6 p -85.11 -49.08 8.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.417 1.073 . . . . 0.0 108.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.476 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.3 pp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.584 ' CG ' HG23 ' A' ' 13' ' ' THR . 1.6 mtmp? -122.84 143.41 49.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.256 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.76 158.88 43.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 108.264 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.474 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.6 m-20 -67.0 157.71 32.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.1 mmpt? -96.36 -168.79 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.84 -48.22 8.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' CG1' ' CD1' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -97.71 110.34 54.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.3 Cg_exo -59.89 13.15 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.148 0 N-CA-C 120.085 3.071 . . . . 0.0 120.085 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.55 ' CD1' ' CG1' ' A' ' 7' ' ' VAL . 0.1 OUTLIER -94.8 -7.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.349 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.49 136.94 15.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.474 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 38.1 p90 -123.59 157.52 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -136.35 -169.59 2.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.584 HG23 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -92.11 145.55 24.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.461 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 62.8 m -67.98 126.55 92.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 108.301 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.28 169.66 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.75 137.11 58.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 87.54 -26.58 7.09 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HB3' ' CA ' ' A' ' 39' ' ' ILE . 12.5 mmtt -91.4 150.32 21.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -145.72 -40.9 0.22 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 109.336 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 15.2 mt -84.67 152.83 23.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.487 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 9.9 m -104.63 143.78 32.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 4.4 p90 -134.8 158.23 44.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 24' ' ' MET . 0.3 OUTLIER -156.97 114.12 3.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.578 ' O ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -94.42 130.77 40.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 111.01 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.545 ' CE1' ' HG3' ' A' ' 33' ' ' PRO . 17.7 m-30 -116.24 135.67 53.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.539 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 6.5 mtt -74.9 151.78 38.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 mmm -62.28 -33.47 74.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 111.06 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.0 t -67.63 -96.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.555 1.16 . . . . 0.0 109.997 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.507 ' OD1' HG22 ' A' ' 31' ' ' THR . 13.0 t0 -75.5 80.5 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.231 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.539 ' CD2' ' O ' ' A' ' 26' ' ' MET . 18.0 mt -75.25 -14.88 60.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.36 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.507 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.6 t -86.83 1.51 52.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.462 ' HA ' HD13 ' A' ' 32' ' ' ILE . 3.9 mm -146.64 108.95 4.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 53.8 Cg_exo -47.38 170.93 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.202 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 24' ' ' MET . 2.7 p -127.37 -39.15 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -138.94 134.88 33.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' NH2' ' HA ' ' A' ' 60' ' ' ASN . 24.4 mtp85 -145.84 127.76 15.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -179.7 -174.24 45.48 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.52 1.138 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 11.7 m -110.21 156.03 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.484 ' CA ' ' HB3' ' A' ' 18' ' ' LYS . 5.6 tt -156.76 173.31 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -87.98 -45.31 10.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.9 118.96 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.489 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -64.48 139.62 97.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 108.294 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 3.6 Cg_exo -75.89 170.55 19.91 Favored 'Trans proline' 0 CA--C 1.569 2.235 0 N-CA-C 120.129 3.088 . . . . 0.0 120.129 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -75.77 143.4 42.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -85.45 151.1 24.23 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.7 p -125.24 171.73 10.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.1 mt -84.27 6.42 22.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -115.82 -45.5 2.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.591 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -131.11 130.5 63.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.34 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.87 138.31 37.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.093 . . . . 0.0 109.326 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 49' ' ' VAL . 8.2 m-85 -104.57 122.22 45.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.085 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.71 121.33 60.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.4 m -96.6 160.63 14.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 108.319 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 8.1 p -165.22 137.87 4.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 108.273 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.466 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -107.17 5.76 28.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.371 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -94.38 161.17 14.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.444 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -79.35 161.81 25.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.5 mpt_? 38.2 37.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.5 p -85.14 -48.38 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 108.327 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.45 ' HA ' ' NH2' ' A' ' 36' ' ' ARG . 2.1 p-10 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.576 HD13 ' OD1' ' A' ' 57' ' ' ASP . 2.8 mm? . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mttp -109.72 142.65 40.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 4.5 m -137.41 167.32 21.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.7 m-20 -80.24 167.28 20.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.237 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.03 -156.21 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 tp -43.01 -36.79 1.69 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.735 HG13 ' HD2' ' A' ' 8' ' ' PRO . 7.8 t -139.97 147.94 52.94 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.735 ' HD2' HG13 ' A' ' 7' ' ' VAL . 24.2 Cg_exo -60.54 14.67 0.04 OUTLIER 'Trans proline' 0 CA--C 1.567 2.145 0 N-CA-C 120.14 3.092 . . . . 0.0 120.14 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.733 HG22 HG12 ' A' ' 7' ' ' VAL . 6.3 tp -94.99 -10.18 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.374 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.38 124.13 7.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.1 p90 -125.44 153.48 43.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 111.032 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -136.03 -170.78 2.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.17 142.61 31.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 98.5 m -67.0 109.07 2.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 108.307 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.468 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.15 173.86 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.188 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.44 136.5 57.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.308 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.94 -28.31 11.99 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 110.95 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB3' ' N ' ' A' ' 39' ' ' ILE . 16.3 mttt -107.52 118.46 36.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -110.89 -25.75 9.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.57 1.169 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mp -100.84 162.32 12.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.537 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 5.5 m -104.31 147.12 27.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.257 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.406 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 2.0 p90 -135.39 159.32 41.93 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 1.089 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.536 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -155.04 122.57 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.085 . . . . 0.0 109.3 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 53.5 mtp -106.47 132.29 52.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.536 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 5.0 m-85 -128.5 163.25 25.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.627 ' HG3' HG11 ' A' ' 34' ' ' VAL . 35.1 mtp -85.48 157.92 20.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.112 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mmt -64.55 -35.7 81.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.5 t -71.23 -97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 110.083 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.952 ' OD2' HD12 ' A' ' 32' ' ' ILE . 15.9 t0 -75.71 80.33 2.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -15.71 61.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.536 HG22 ' OD1' ' A' ' 29' ' ' ASP . 3.9 t -86.27 8.17 22.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.407 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.952 HD12 ' OD2' ' A' ' 29' ' ' ASP . 2.5 mt -136.66 90.44 16.85 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 44.2 Cg_exo -52.25 154.92 10.1 Favored 'Trans proline' 0 CA--C 1.569 2.225 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG23 ' HG3' ' A' ' 35' ' ' LYS . 11.1 m -116.93 -33.38 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.699 ' HG3' HG23 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -136.74 140.85 42.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.252 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' CD ' ' HB2' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -152.58 110.35 3.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -159.27 -142.11 3.31 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.562 1.163 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 27.7 m -132.07 163.6 28.11 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.417 ' N ' ' HB3' ' A' ' 18' ' ' LYS . 1.1 tt -153.28 172.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -100.84 -38.73 8.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.578 1.173 . . . . 0.0 109.349 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -123.86 145.41 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.16 . . . . 0.0 109.358 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -75.93 111.27 13.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 108.34 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -64.68 161.16 36.87 Favored 'Trans proline' 0 CA--C 1.569 2.242 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.7 134.18 40.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 3.6 m-80 -85.51 154.18 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 91.0 p -122.92 175.04 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.7 mt -85.17 8.59 17.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mp -110.37 -49.7 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.542 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -128.8 156.55 41.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.369 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -116.73 137.24 52.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.1 m-85 -107.39 138.98 42.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.81 129.03 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 33.9 m -108.83 162.56 14.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 108.333 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -158.31 162.13 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 0.0 108.32 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -126.35 2.46 7.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.4 p -93.54 160.63 14.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.377 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.576 ' OD1' HD13 ' A' ' 1' ' ' LEU . 31.3 m-20 -76.17 158.62 31.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 19.1 mtp180 37.53 41.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.6 p -84.21 -49.68 8.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 108.282 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' CD ' ' A' ' 36' ' ' ARG . 3.9 p-10 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.407 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 1' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.682 ' CG ' HG23 ' A' ' 13' ' ' THR . 4.0 mttt -127.07 144.82 50.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.261 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 32.5 m -135.42 165.02 26.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.482 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 6.6 m-20 -74.19 167.17 22.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.35 -161.82 0.9 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.453 1.096 . . . . 0.0 109.346 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.509 HD22 ' HA ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -42.74 -35.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.526 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.48 143.75 48.05 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.526 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.87 9.27 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -94.72 -4.96 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 124.85 7.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.482 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 37.7 p90 -128.74 152.3 48.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -136.53 -178.82 5.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.682 HG23 ' CG ' ' A' ' 2' ' ' LYS . 1.5 m -87.95 151.71 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.52 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -71.23 109.09 4.64 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.52 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.8 Cg_endo -48.11 167.33 0.11 Allowed 'Trans proline' 0 CA--C 1.568 2.221 0 N-CA-C 120.149 3.096 . . . . 0.0 120.149 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -61.05 136.64 58.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.64 -26.16 25.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.454 1.096 . . . . 0.0 110.947 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 0.0 OUTLIER -94.66 160.8 14.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -145.62 -44.05 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 109.346 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD23 ' HB3' ' A' ' 55' ' ' ASN . 5.6 mt -100.31 162.82 12.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.411 1.069 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.461 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -104.83 146.28 29.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -132.75 138.01 47.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.552 1.158 . . . . 0.0 110.947 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 60' ' ' ASN . 7.4 ptmt -131.78 109.77 10.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.56 ' C ' ' CD1' ' A' ' 25' ' ' PHE . 11.1 mtt -96.6 153.9 17.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.753 ' HA ' HG12 ' A' ' 34' ' ' VAL . 12.2 m-85 -145.38 137.26 25.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 111.041 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.403 ' O ' ' HG ' ' A' ' 30' ' ' LEU . 5.8 mtp -74.45 155.95 37.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 16.7 mmm -64.29 -34.9 79.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.8 t -64.6 -89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -75.14 70.72 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 27' ' ' MET . 16.0 mt -73.53 -6.8 48.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.693 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.72 -21.77 28.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.693 ' CG1' HG22 ' A' ' 31' ' ' THR . 0.8 OUTLIER -133.01 132.98 22.66 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.522 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 26.7 Cg_endo -55.44 168.49 1.47 Allowed 'Trans proline' 0 CA--C 1.569 2.228 0 N-CA-C 120.164 3.102 . . . . 0.0 120.164 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.753 HG12 ' HA ' ' A' ' 25' ' ' PHE . 6.9 p -123.77 -35.51 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.2 mttt -137.26 138.64 40.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -148.74 118.68 7.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.19 -159.15 21.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.525 1.141 . . . . 0.0 111.066 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 22.5 m -119.14 157.33 28.12 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.444 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 1.1 tt -155.77 165.62 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -82.46 -46.5 13.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -125.66 130.19 72.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -71.67 131.63 85.95 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.28 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 3.7 Cg_exo -76.05 164.19 31.84 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' O ' ' CE2' ' A' ' 51' ' ' TYR . 10.1 mttt -75.31 145.51 41.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -84.41 149.54 25.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 78.9 p -120.75 174.53 6.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.5 mt -84.19 8.28 16.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.505 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.3 mt -111.26 -52.05 2.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.4 m -128.78 153.53 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.2 tttm -112.52 149.13 33.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.145 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' HG23 ' A' ' 49' ' ' VAL . 20.5 m-30 -122.86 146.29 47.69 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.48 134.22 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.23 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.4 m -96.31 159.03 15.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 108.322 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 9.2 p -165.26 133.25 3.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 108.294 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -108.05 3.37 23.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.9 p -94.37 165.55 12.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.38 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 33.0 m-20 -79.63 161.98 25.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 13.5 mtm180 38.03 39.68 0.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.461 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 30.6 p -84.84 -49.56 8.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 23' ' ' LYS . 1.3 p-10 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.772 ' HG3' HG23 ' A' ' 13' ' ' THR . 0.3 OUTLIER -125.9 143.2 51.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -137.56 172.3 13.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 108.325 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 4.7 m-20 -75.03 156.85 35.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.467 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 1.4 mmpt? -96.44 -169.46 1.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.26 -47.68 6.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.719 HG12 HG22 ' A' ' 9' ' ' ILE . 1.9 t -97.51 109.97 52.76 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.6 Cg_exo -60.03 12.3 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.128 0 N-CA-C 120.136 3.091 . . . . 0.0 120.136 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.719 HG22 HG12 ' A' ' 7' ' ' VAL . 1.5 tt -94.26 -7.85 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.1 138.74 16.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 39.3 p90 -123.16 156.3 35.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -136.44 -174.07 3.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.252 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.772 HG23 ' HG3' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -84.95 151.76 23.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.17 124.57 91.02 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 108.322 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -48.62 166.76 0.13 Allowed 'Trans proline' 0 CA--C 1.568 2.197 0 N-CA-C 120.112 3.081 . . . . 0.0 120.112 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.3 144.11 51.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.74 -26.32 8.48 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.57 1.169 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.68 165.01 13.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 0.757 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -145.63 -42.65 0.22 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.477 1.111 . . . . 0.0 109.353 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.98 176.5 5.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 23.5 m -101.78 144.41 30.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 108.3 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 24' ' ' MET . 2.1 t80 -136.29 136.05 39.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 0.0 111.057 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HG3' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -132.12 161.34 33.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.287 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.559 ' HG3' ' CE1' ' A' ' 22' ' ' TYR . 5.9 mtp -136.21 130.59 33.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HG3' ' A' ' 23' ' ' LYS . 9.0 m-85 -127.73 143.08 51.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.522 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 61.9 mtp -74.34 157.07 36.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.4 mmt -63.63 -35.2 79.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.054 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.8 t -66.09 -101.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.962 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -76.46 85.0 3.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' ' 26' ' ' MET . 3.8 mt -73.71 -15.71 61.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 36.1 p -87.17 7.24 29.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.571 ' O ' HG22 ' A' ' 32' ' ' ILE . 1.3 mm -139.9 94.67 8.93 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.28 152.18 8.59 Favored 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 35' ' ' LYS . 4.4 p -110.7 -43.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.602 ' HG2' HG22 ' A' ' 34' ' ' VAL . 25.3 mmtt -138.75 144.3 39.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -149.68 137.06 19.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.83 -150.22 7.67 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 57.5 m -122.49 163.82 19.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.668 HD12 ' O ' ' A' ' 41' ' ' VAL . 0.0 OUTLIER -155.63 164.62 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -91.77 -52.55 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.668 ' O ' HD12 ' A' ' 39' ' ' ILE . 1.6 t -111.34 140.86 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.481 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.1 t -76.65 108.71 6.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 108.277 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 6.4 Cg_exo -72.99 162.45 40.96 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.111 3.081 . . . . 0.0 120.111 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 0.6 OUTLIER -75.44 142.79 42.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.3 163.66 18.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.9 p -120.92 173.81 7.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 110.078 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 2.54 29.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.365 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 48' ' ' LEU . 1.4 mm? -104.3 -52.69 2.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.1 m -130.29 162.27 38.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.507 1.13 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.69 138.15 52.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.544 ' CD1' ' HG2' ' A' ' 24' ' ' MET . 20.3 m-30 -104.49 141.31 36.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.9 t -133.46 136.01 55.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 40.5 m -117.88 147.39 43.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -148.0 142.67 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 108.307 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.81 7.14 39.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.4 p -94.28 160.45 14.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.12 161.03 22.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' ASP . 57.5 mtm180 36.37 37.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.694 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -85.6 -49.81 7.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 108.326 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -113.17 144.33 42.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 5.7 m -136.02 166.04 24.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 108.271 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.453 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -80.42 156.84 26.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.216 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 -169.83 2.0 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.128 . . . . 0.0 109.237 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.6 OUTLIER -43.29 -47.47 6.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 109.245 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.3 109.81 51.55 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.37 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.419 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.4 Cg_exo -60.06 10.25 0.06 OUTLIER 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.117 3.083 . . . . 0.0 120.117 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 9' ' ' ILE . 1.4 pp -95.08 -3.87 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.51 137.32 16.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 26.0 p90 -130.93 159.14 38.31 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -135.6 -159.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 142.82 35.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.457 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 72.3 m -69.4 109.39 4.41 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.573 1.171 . . . . 0.0 108.239 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.457 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.45 176.21 0.02 OUTLIER 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -61.87 136.99 58.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.29 -27.69 18.9 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.8 mmtt -94.67 156.37 16.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 0.756 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.6 t30 -145.49 -44.77 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 55' ' ' ASN . 4.6 mt -99.78 167.54 10.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.245 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 59' ' ' CYS . 5.6 m -112.43 147.45 36.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 108.297 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -134.1 144.39 48.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' HE3' ' CE1' ' A' ' 25' ' ' PHE . 2.3 ptmt -138.8 116.11 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.749 ' O ' HG12 ' A' ' 34' ' ' VAL . 65.9 mtp -94.32 139.92 30.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.018 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.582 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 90.9 m-85 -136.2 139.98 43.21 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.518 ' O ' HD23 ' A' ' 30' ' ' LEU . 54.4 mtp -74.91 159.01 32.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.133 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.5 mmt -64.11 -37.35 87.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.0 t -65.34 -95.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.003 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -75.45 76.98 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD23 ' O ' ' A' ' 26' ' ' MET . 15.6 mt -69.94 -8.41 48.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.419 HG22 HD12 ' A' ' 32' ' ' ILE . 0.5 OUTLIER -85.57 -28.29 24.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 31' ' ' THR . 1.0 OUTLIER -108.8 121.26 43.66 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.582 ' HB3' ' CE2' ' A' ' 25' ' ' PHE . 43.0 Cg_endo -63.36 161.85 29.38 Favored 'Trans proline' 0 CA--C 1.568 2.219 0 N-CA-C 120.105 3.079 . . . . 0.0 120.105 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 24' ' ' MET . 6.3 p -114.99 -34.78 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HG2' HG13 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -142.92 137.33 29.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 109.379 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.1 mtp85 -145.36 111.41 5.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -165.79 -153.92 7.9 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 29.6 m -116.82 162.7 17.3 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.487 HG23 ' O ' ' A' ' 41' ' ' VAL . 0.2 OUTLIER -155.41 157.84 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -82.07 -42.73 18.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' O ' HG23 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -124.68 164.92 22.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 1.9 t -75.18 129.24 83.14 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.314 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 11.1 Cg_exo -69.61 177.32 5.59 Favored 'Trans proline' 0 CA--C 1.568 2.208 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.543 ' O ' ' CD1' ' A' ' 51' ' ' TYR . 54.8 mttt -72.71 -178.75 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 57.5 m-80 -154.07 131.35 11.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.4 p -125.58 176.7 6.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.1 mt -84.91 7.6 20.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.4 mt -108.68 -49.11 3.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.75 135.16 64.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -103.17 145.23 30.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.577 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.9 m-85 -118.0 140.86 49.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.437 1.085 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.7 t -134.44 121.9 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.578 1.174 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.408 ' SG ' ' CD ' ' A' ' 43' ' ' PRO . 60.5 m -98.35 154.42 17.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 108.251 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.6 p -151.65 146.67 25.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 108.372 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' HB3' HD23 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -113.16 6.93 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.404 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 74.4 p -94.71 162.24 13.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 110.356 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -76.58 157.82 31.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 89.2 mtt180 37.68 43.38 0.46 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.404 ' HB3' ' OG1' ' A' ' 56' ' ' THR . 30.7 p -85.34 -49.51 8.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 4.0 p-10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.09 143.97 45.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 8.2 m -136.31 162.99 31.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 108.208 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-80 -76.18 157.77 32.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -95.78 -169.93 2.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.463 ' O ' ' NH2' ' A' ' 36' ' ' ARG . 7.7 tp -43.34 -48.53 6.92 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.235 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.5 t -96.86 110.41 53.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.338 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 26.4 Cg_exo -59.82 9.16 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.159 0 N-CA-C 120.152 3.097 . . . . 0.0 120.152 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -93.36 -4.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.14 133.56 12.73 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.539 1.15 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -124.06 159.55 29.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.434 1.084 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -135.64 -162.95 1.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.257 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.42 144.89 31.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 110.411 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 80.1 m -64.61 108.53 2.02 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.226 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.519 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -47.95 174.6 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.194 0 N-CA-C 120.178 3.107 . . . . 0.0 120.178 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.35 137.99 57.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.53 -29.01 8.84 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.556 1.16 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 39' ' ' ILE . 6.1 mptt -90.77 155.05 19.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 0.756 . . . . 0.0 109.376 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 28.0 t30 -145.69 -44.04 0.21 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.371 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' CD2' ' HB3' ' A' ' 55' ' ' ASN . 19.1 mt -100.52 161.13 13.81 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.49 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 5.9 m -104.53 145.38 30.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 p90 -128.47 142.94 50.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -137.13 122.82 19.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.582 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 18.6 mtp -110.56 149.2 30.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.556 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.8 m-85 -135.11 152.26 51.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.616 ' CG ' HG21 ' A' ' 34' ' ' VAL . 47.9 mtp -78.18 162.84 26.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.416 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 3.4 mmm -62.87 -37.18 85.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -65.91 -100.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.901 ' OD2' HD12 ' A' ' 32' ' ' ILE . 13.9 t0 -75.98 81.73 2.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 26' ' ' MET . 7.3 mt -69.35 -9.84 55.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.233 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.05 -28.29 24.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.901 HD12 ' OD2' ' A' ' 29' ' ' ASP . 10.8 mt -101.94 108.3 55.84 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.449 ' HB2' ' NH1' ' A' ' 36' ' ' ARG . 50.2 Cg_exo -49.59 163.28 0.47 Allowed 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.11 3.081 . . . . 0.0 120.11 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.616 HG21 ' CG ' ' A' ' 26' ' ' MET . 0.5 OUTLIER -127.47 -39.21 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.613 ' HG2' HG13 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -131.33 134.99 46.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.463 ' NH2' ' O ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -146.69 109.52 4.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.363 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.83 -169.14 26.91 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.555 1.16 . . . . 0.0 111.022 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.7 m -113.12 153.65 27.88 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.455 ' HA ' ' CG ' ' A' ' 18' ' ' LYS . 7.8 tt -156.15 169.74 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -82.91 -46.03 13.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -125.52 141.28 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.361 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.498 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.6 OUTLIER -75.27 136.74 72.05 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 108.297 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.556 ' HB2' ' CD2' ' A' ' 51' ' ' TYR . 4.5 Cg_exo -76.48 165.54 28.92 Favored 'Trans proline' 0 CA--C 1.567 2.126 0 N-CA-C 120.13 3.089 . . . . 0.0 120.13 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -75.8 144.29 41.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 109.325 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.457 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 9.9 m-80 -85.67 145.26 27.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -120.16 175.69 5.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 110.039 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 50.7 mt -84.72 8.44 17.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' ' CG ' ' A' ' 27' ' ' MET . 1.0 OUTLIER -108.68 -54.62 2.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.24 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.9 m -131.21 143.93 39.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 24' ' ' MET . 2.8 ttpt -98.69 136.7 38.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.582 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 5.0 m-85 -104.67 143.81 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -134.59 152.14 32.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.9 m -112.21 159.88 18.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 108.263 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 21.1 p -165.15 125.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 108.317 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.468 ' HB3' ' CD2' ' A' ' 20' ' ' LEU . 0.5 OUTLIER -99.67 4.78 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.251 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.4 p -93.53 163.63 13.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 110.402 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 58' ' ' ARG . 2.0 m-20 -81.94 163.96 21.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 57' ' ' ASP . 54.6 mtm180 38.26 38.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.49 ' SG ' ' CB ' ' A' ' 21' ' ' CYS . 31.0 p -85.61 -49.6 7.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.584 1.177 . . . . 0.0 108.256 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.682 HD13 ' O ' ' A' ' 19' ' ' ASN . 8.9 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' CG ' ' HA ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -123.26 144.7 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.1 m -135.43 172.19 13.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 108.233 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.489 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 3.2 m-20 -79.56 171.38 15.22 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 mmmt -95.09 -163.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tp -42.86 -35.7 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.618 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.34 145.62 56.07 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.618 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.61 9.9 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.203 0 N-CA-C 120.121 3.085 . . . . 0.0 120.121 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 tt -93.7 -6.1 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.574 1.171 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.44 124.95 7.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 48.7 p90 -126.78 150.65 49.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.39 -174.19 3.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.467 ' HA ' ' CG ' ' A' ' 2' ' ' LYS . 0.6 OUTLIER -97.72 150.33 21.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 110.455 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.486 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 91.7 m -73.11 108.64 4.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 108.259 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.24 169.53 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.185 3.11 . . . . 0.0 120.185 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -58.98 139.82 56.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 99.76 -30.88 9.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.451 1.095 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.5 mttp -97.81 163.32 12.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 0.723 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.682 ' O ' HD13 ' A' ' 1' ' ' LEU . 20.5 t30 -145.55 -43.65 0.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.23 169.04 10.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.224 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 15.5 m -103.86 146.46 28.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.604 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -123.05 150.22 43.38 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.537 1.148 . . . . 0.0 111.04 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.597 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 0.6 OUTLIER -134.03 115.86 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.481 ' O ' HG23 ' A' ' 34' ' ' VAL . 82.6 mtp -99.17 127.16 45.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.167 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.597 ' CZ ' ' HB3' ' A' ' 23' ' ' LYS . 12.9 m-85 -132.13 151.35 51.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.166 . . . . 0.0 111.028 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.585 ' HA ' HG22 ' A' ' 49' ' ' VAL . 38.0 mtp -84.94 159.1 20.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 39.6 mmm -64.8 -36.08 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 t -69.03 -98.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.407 1.067 . . . . 0.0 109.992 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.41 ' OD2' HD12 ' A' ' 32' ' ' ILE . 5.4 t0 -76.93 82.76 3.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.81 -10.19 59.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.27 -18.78 31.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.428 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 32' ' ' ILE . 10.7 mt -114.38 98.87 50.02 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HG2' ' CZ ' ' A' ' 36' ' ' ARG . 51.0 Cg_exo -48.48 150.8 5.39 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.077 3.068 . . . . 0.0 120.077 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 24' ' ' MET . 0.1 OUTLIER -105.42 -46.86 9.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -142.94 152.23 41.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.297 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.454 ' CZ ' ' HG2' ' A' ' 33' ' ' PRO . 11.4 mtm180 -151.71 127.95 10.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.24 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.47 ' CA ' ' CE2' ' A' ' 22' ' ' TYR . . . -164.39 -147.94 5.27 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 19.2 m -124.41 163.77 21.08 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.576 HG21 ' HD3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -152.44 164.21 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.92 -40.67 10.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.44 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -125.52 143.66 38.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 t -64.67 107.33 1.32 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HD3' HG21 ' A' ' 39' ' ' ILE . 18.4 Cg_exo -64.2 153.49 76.12 Favored 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 135.67 40.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -85.44 153.67 22.33 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 53.7 p -116.78 178.11 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 109.991 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 93.2 mt -84.83 7.88 19.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mt -112.59 -55.01 2.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -130.57 145.56 35.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -105.94 138.69 41.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' CE1' HG12 ' A' ' 49' ' ' VAL . 7.0 m-85 -108.29 126.53 52.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.181 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.592 HG21 ' CE2' ' A' ' 25' ' ' PHE . 2.0 t -106.31 172.36 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 52' ' ' VAL . 58.0 m -144.37 147.09 32.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 108.341 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 5.8 p -153.72 134.61 13.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 108.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.88 8.13 43.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.382 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -94.15 166.87 11.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.421 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.27 160.45 18.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 38.91 36.75 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.254 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.542 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 30.4 p -85.09 -48.81 8.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 108.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.454 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.6 mt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.7 mttm -109.94 142.71 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.349 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.5 m -137.35 162.4 33.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 108.273 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -74.78 163.66 27.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD2' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -94.92 -163.91 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.498 ' HA ' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -42.43 -33.09 0.61 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.585 1.178 . . . . 0.0 109.261 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.63 HG12 ' H ' ' A' ' 9' ' ' ILE . 1.9 t -134.57 141.1 37.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.539 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 23.4 Cg_exo -61.58 9.35 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.181 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.63 ' H ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -95.51 -3.79 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.64 129.8 10.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 52.4 p90 -133.91 153.36 51.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.931 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.444 ' CD ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.79 -171.72 2.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -97.81 145.87 25.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 99.0 m -75.33 110.9 11.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 108.314 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.44 165.58 0.16 Allowed 'Trans proline' 0 CA--C 1.568 2.183 0 N-CA-C 120.16 3.1 . . . . 0.0 120.16 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -59.92 139.35 57.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.39 -28.66 14.76 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.48 117.9 24.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.26 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -111.64 -8.98 14.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.1 mt -99.17 159.17 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 6.0 m -112.1 145.56 39.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 108.372 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 6.0 p90 -135.78 152.78 51.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' HB ' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -145.31 123.32 12.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.571 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 51.8 mtt -97.13 139.32 33.29 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -133.68 147.65 51.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.617 ' HA ' HG22 ' A' ' 49' ' ' VAL . 60.5 mtm -76.07 156.06 34.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.659 ' O ' HD11 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -63.51 -38.89 92.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.554 1.159 . . . . 0.0 110.992 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.2 t -69.04 -90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.628 ' OD2' HD13 ' A' ' 32' ' ' ILE . 21.0 t0 -75.69 75.65 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.659 HD11 ' O ' ' A' ' 27' ' ' MET . 0.8 OUTLIER -73.23 -12.77 60.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.233 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.479 HG23 HD12 ' A' ' 32' ' ' ILE . 3.9 t -85.59 5.6 30.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.361 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.628 HD13 ' OD2' ' A' ' 29' ' ' ASP . 1.0 OUTLIER -139.77 125.1 11.6 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -63.21 160.31 35.26 Favored 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.505 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -120.16 -41.32 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.505 ' HG3' ' CG1' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -136.64 151.86 49.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.458 1.099 . . . . 0.0 109.373 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -148.96 111.68 4.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 110.259 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.32 -158.02 9.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.555 1.159 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 9.7 m -125.14 156.5 38.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 tt -148.09 177.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.75 -45.29 5.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.414 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -119.27 152.3 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 t -75.14 110.74 10.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.331 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 41' ' ' VAL . 21.1 Cg_exo -63.45 152.51 79.77 Favored 'Trans proline' 0 CA--C 1.568 2.212 0 N-CA-C 120.103 3.078 . . . . 0.0 120.103 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.69 131.49 43.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 2.1 m-80 -86.06 160.53 19.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.1 p -123.79 177.12 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.976 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.6 mt -85.84 12.98 8.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.252 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.508 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.0 mt -115.28 -54.09 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.241 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -130.61 142.18 44.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -102.56 137.48 40.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.591 ' CE1' HG12 ' A' ' 49' ' ' VAL . 4.5 m-85 -109.67 124.88 51.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.049 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.465 ' HB ' ' CG ' ' A' ' 23' ' ' LYS . 1.8 t -106.68 161.02 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 60.1 m -134.84 161.8 34.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -161.7 158.53 26.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.347 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -125.32 0.85 7.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.438 1.086 . . . . 0.0 109.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.407 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 11.0 p -94.12 164.19 13.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.39 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.1 OUTLIER -77.38 161.11 28.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 57' ' ' ASP . 65.1 mtp180 36.96 42.06 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.348 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.503 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -84.61 -50.19 7.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.145 . . . . 0.0 108.309 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.9 p-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 14' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.469 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 30.5 mttt -118.86 144.17 46.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -136.0 170.03 16.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 108.261 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.462 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 2.0 m-20 -78.16 165.94 23.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.93 -157.96 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -37.51 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.565 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.56 144.83 52.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.249 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.5 Cg_exo -61.83 9.63 0.09 OUTLIER 'Trans proline' 0 CA--C 1.568 2.206 0 N-CA-C 120.097 3.076 . . . . 0.0 120.097 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -95.18 -4.02 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.34 119.06 5.31 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.462 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.8 p90 -127.02 151.49 48.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.941 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.56 -166.95 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.469 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.38 141.32 36.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.385 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.577 ' HB2' HD12 ' A' ' 1' ' ' LEU . 57.9 m -64.8 108.19 1.85 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 108.267 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.7 Cg_endo -48.99 171.29 0.07 OUTLIER 'Trans proline' 0 CA--C 1.568 2.19 0 N-CA-C 120.15 3.096 . . . . 0.0 120.15 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.81 137.46 57.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.33 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.41 -32.65 7.33 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.965 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -95.18 163.87 13.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 0.768 . . . . 0.0 109.329 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -146.06 -42.91 0.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.6 167.79 10.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 10.8 m -103.94 145.35 30.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.328 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -132.09 151.04 51.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -143.61 129.9 19.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 3.9 mtm -112.56 141.07 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.565 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -139.2 152.73 47.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.509 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 8.7 mtt -76.62 159.28 30.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.436 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.8 mmt -63.91 -36.35 83.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 t -70.72 -98.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.907 ' OD2' HD12 ' A' ' 32' ' ' ILE . 11.8 t0 -75.14 87.17 2.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' CD2' ' O ' ' A' ' 26' ' ' MET . 4.4 mt -75.85 -13.08 60.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -6.06 59.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.461 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.907 HD12 ' OD2' ' A' ' 29' ' ' ASP . 10.0 mt -119.69 93.26 47.34 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -50.38 153.43 7.3 Favored 'Trans proline' 0 CA--C 1.567 2.142 0 N-CA-C 120.128 3.088 . . . . 0.0 120.128 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -116.15 -39.55 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -135.84 136.26 40.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -149.27 113.66 5.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -164.53 -137.23 2.15 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 18.5 m -130.84 162.81 28.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -151.62 168.72 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.1 -40.73 8.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.54 150.8 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.482 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 0.9 OUTLIER -75.57 111.42 14.23 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 108.265 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.66 160.3 37.01 Favored 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.08 3.069 . . . . 0.0 120.08 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -75.08 136.56 41.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.591 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 13.2 m-80 -86.0 149.98 24.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -120.07 170.99 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.5 11.21 10.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 27' ' ' MET . 3.3 mp -115.34 -46.96 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.584 1.178 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.655 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.8 m -130.44 153.32 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.91 144.38 42.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.236 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.655 ' CE1' HG23 ' A' ' 49' ' ' VAL . 2.9 m-85 -118.98 140.12 50.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 111.013 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 1.8 t -134.15 140.65 45.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 59.2 m -114.11 160.11 19.29 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.413 1.071 . . . . 0.0 108.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.3 p -160.35 133.09 6.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.093 . . . . 0.0 108.321 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.22 5.86 49.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.1 p -94.28 160.17 14.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.365 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -81.37 162.55 23.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.316 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 57' ' ' ASP . 43.4 mtm180 37.53 36.86 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 31.3 p -84.87 -48.77 8.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 108.26 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.2 p-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.476 ' O ' ' CG ' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.497 HD13 ' ND2' ' A' ' 19' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.5 mttt -121.23 144.78 48.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -135.32 175.12 9.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.132 . . . . 0.0 108.386 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.48 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.5 m120 -82.41 167.49 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt -94.6 -162.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 tt -42.34 -35.99 1.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.522 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.4 143.6 47.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.522 ' HD2' HG12 ' A' ' 7' ' ' VAL . 22.3 Cg_exo -61.7 10.08 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.178 0 N-CA-C 120.183 3.109 . . . . 0.0 120.183 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -93.12 -7.29 10.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.03 123.69 7.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.9 p90 -126.41 151.46 47.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 111.037 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.29 -175.05 3.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.65 145.75 24.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.359 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 99.1 m -66.92 108.83 2.73 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.077 . . . . 0.0 108.241 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.2 Cg_endo -48.41 169.88 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.151 0 N-CA-C 120.115 3.083 . . . . 0.0 120.115 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -64.65 129.93 41.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.367 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.58 -24.49 21.99 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -128.88 130.05 46.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 0.807 . . . . 0.0 109.254 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.497 ' ND2' HD13 ' A' ' 1' ' ' LEU . 13.2 t-20 -117.18 -28.94 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.1 mt -84.07 158.23 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 7.8 m -104.57 145.61 30.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 108.319 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' CE2' ' CE ' ' A' ' 24' ' ' MET . 2.7 p90 -135.68 149.06 49.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 110.959 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.57 ' HE2' HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -145.89 113.8 6.49 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.243 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.521 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 28.4 mtt -99.43 146.59 26.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' HA ' ' CG2' ' A' ' 34' ' ' VAL . 20.3 m-85 -138.59 147.15 42.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.515 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 81.0 mtp -75.02 154.91 37.81 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.428 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 20.0 mmm -64.41 -38.99 92.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.8 t -75.35 -79.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.006 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -73.68 68.44 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.515 ' CD2' ' O ' ' A' ' 26' ' ' MET . 20.7 mt -73.54 -13.69 61.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.897 ' O ' HD12 ' A' ' 32' ' ' ILE . 1.6 t -86.28 6.27 30.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.364 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.897 HD12 ' O ' ' A' ' 31' ' ' THR . 1.0 OUTLIER -148.95 136.52 11.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD3' ' HA ' ' A' ' 32' ' ' ILE . 4.7 Cg_exo -76.71 159.3 35.22 Favored 'Trans proline' 0 CA--C 1.568 2.191 0 N-CA-C 120.088 3.072 . . . . 0.0 120.088 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.489 ' CG2' ' HG3' ' A' ' 26' ' ' MET . 0.1 OUTLIER -115.41 -36.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -137.68 131.04 30.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -144.2 103.29 3.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -158.47 -134.97 1.8 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.439 1.087 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 33.4 m -137.36 164.18 29.23 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.417 ' N ' ' HB2' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -154.47 171.3 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -101.32 -31.96 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.58 146.49 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.5 t -76.24 111.53 15.85 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 108.327 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.5 Cg_exo -63.95 152.44 80.84 Favored 'Trans proline' 0 CA--C 1.568 2.189 0 N-CA-C 120.118 3.084 . . . . 0.0 120.118 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -74.97 140.06 43.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -85.9 152.05 23.28 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.234 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -124.34 168.94 12.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.08 3.1 21.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 27' ' ' MET . 2.7 mt -103.65 -51.17 3.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.0 m -130.96 165.19 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 24' ' ' MET . 12.7 ttpt -124.52 139.91 53.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.611 ' CE1' HG23 ' A' ' 49' ' ' VAL . 3.9 m-85 -114.24 141.93 46.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG11 ' HE2' ' A' ' 23' ' ' LYS . 2.6 t -134.31 121.61 37.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 20.8 m -94.35 164.67 12.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 108.319 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.8 p -164.09 137.19 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 108.236 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.17 4.65 42.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -93.81 167.95 11.3 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 1.103 . . . . 0.0 110.382 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.29 163.79 15.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 37.9 37.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.5 p -85.07 -49.53 8.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.41 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 3.3 p-10 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.774 ' HG3' HG23 ' A' ' 13' ' ' THR . 1.1 mptt -114.52 143.5 44.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 1.8 m -136.21 163.43 30.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 108.311 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER -78.79 157.01 28.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.4 mmmt -96.38 -167.8 1.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.425 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.6 tp -43.27 -49.0 6.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.391 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.0 t -96.61 109.81 50.03 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 6' ' ' LEU . 25.8 Cg_exo -60.05 10.45 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.136 0 N-CA-C 120.137 3.091 . . . . 0.0 120.137 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -94.55 -4.48 10.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.405 1.066 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.46 134.97 14.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.471 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 51.3 p90 -127.36 156.94 41.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.002 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -136.35 -178.86 5.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.774 HG23 ' HG3' ' A' ' 2' ' ' LYS . 1.5 m -84.78 141.68 30.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.381 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.798 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 99.6 m -66.18 110.07 4.18 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 108.273 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.501 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.4 Cg_endo -48.07 174.51 0.03 OUTLIER 'Trans proline' 0 CA--C 1.568 2.175 0 N-CA-C 120.092 3.074 . . . . 0.0 120.092 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -59.65 140.11 56.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.01 -31.26 6.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.58 1.175 . . . . 0.0 111.03 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 160.92 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 0.77 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -145.62 -43.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.12 171.85 7.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' HB3' ' OD1' ' A' ' 60' ' ' ASN . 2.6 m -103.4 147.76 26.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 108.266 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE1' ' CE ' ' A' ' 24' ' ' MET . 0.5 OUTLIER -132.23 145.72 51.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.113 . . . . 0.0 110.997 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.49 125.5 15.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 51' ' ' TYR . 38.5 mtt -112.05 139.38 47.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 111.031 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.572 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -132.53 150.03 52.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.414 ' HA ' HG22 ' A' ' 49' ' ' VAL . 35.7 mtp -76.24 159.15 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 111.053 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 10.4 mmm -63.65 -37.07 85.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 t -68.66 -98.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.01 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.534 ' CG ' HD12 ' A' ' 32' ' ' ILE . 7.1 t0 -76.13 83.59 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.43 -13.19 60.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 109.301 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.9 p -86.27 -2.12 58.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.534 HD12 ' CG ' ' A' ' 29' ' ' ASP . 2.9 mt -129.49 100.4 19.9 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.404 ' HG2' ' NH1' ' A' ' 36' ' ' ARG . 52.8 Cg_exo -50.17 151.12 9.6 Favored 'Trans proline' 0 CA--C 1.568 2.222 0 N-CA-C 120.091 3.073 . . . . 0.0 120.091 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 24' ' ' MET . 0.1 OUTLIER -111.37 -39.76 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 mmtt -136.91 139.15 41.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.404 ' NH1' ' HG2' ' A' ' 33' ' ' PRO . 19.2 mtp180 -146.22 124.99 12.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.47 -158.97 21.19 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 79.6 m -110.79 164.46 12.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -154.72 166.64 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -99.39 -41.52 7.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.98 142.83 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 2.1 t -75.78 110.84 11.87 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 16.7 Cg_exo -65.3 161.65 36.82 Favored 'Trans proline' 0 CA--C 1.567 2.163 0 N-CA-C 120.075 3.067 . . . . 0.0 120.075 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.6 mmtt -74.78 135.64 41.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.587 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 6.2 m-80 -85.95 150.2 24.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.572 1.17 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -120.53 174.66 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 68.1 mt -85.44 10.69 12.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.5 mp -112.36 -50.92 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.538 HG12 ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -130.47 146.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 24' ' ' MET . 14.0 tttt -106.22 147.37 29.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.619 1.199 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.587 ' CD1' ' HA ' ' A' ' 45' ' ' ASN . 3.9 m-85 -120.0 137.84 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 110.924 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.24 120.6 34.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 21' ' ' CYS . 10.5 m -106.09 153.26 22.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.433 1.083 . . . . 0.0 108.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 2.0 p -150.67 148.13 28.21 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 108.231 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.612 ' H ' ' ND2' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -108.18 12.75 26.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.579 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 p -94.11 159.41 15.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.37 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -77.74 148.3 34.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 57' ' ' ASP . 4.6 mtp180 36.36 45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.299 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.5 p -81.55 -51.45 8.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.419 1.075 . . . . 0.0 108.313 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 1.5 p-10 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.876 HD13 ' O ' ' A' ' 55' ' ' ASN . 13.7 mt . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.492 ' CG ' ' HB ' ' A' ' 13' ' ' THR . 2.6 mtmt -114.35 143.71 44.45 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 6.3 m -135.45 163.98 28.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 60' ' ' ASN . 1.7 m120 -74.39 154.84 38.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -168.29 1.69 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.414 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -43.04 -48.41 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.179 . . . . 0.0 109.301 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.463 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.9 t -97.31 110.09 52.88 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.8 Cg_exo -60.21 11.58 0.05 OUTLIER 'Trans proline' 0 CA--C 1.567 2.153 0 N-CA-C 120.124 3.086 . . . . 0.0 120.124 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -95.04 -5.76 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 109.248 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.17 138.88 17.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 21.3 p90 -125.85 162.15 25.82 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -135.28 -168.68 2.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.344 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.492 ' HB ' ' CG ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -105.83 140.77 38.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.442 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 71.3 m -75.1 110.01 9.0 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 108.306 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.7 Cg_endo -48.09 169.11 0.08 OUTLIER 'Trans proline' 0 CA--C 1.567 2.16 0 N-CA-C 120.084 3.071 . . . . 0.0 120.084 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.43 141.93 58.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.99 -24.0 15.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.411 1.069 . . . . 0.0 111.032 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 pttt -145.28 85.83 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 0.792 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 29.7 t30 -101.21 6.27 42.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.214 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 40' ' ' ASP . 17.0 mt -88.81 152.59 21.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 109.248 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 89.8 m -106.32 142.59 35.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 108.265 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.551 ' C ' ' CD1' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -135.38 155.74 50.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.952 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.42 127.34 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.581 ' HG2' ' CD2' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -114.09 141.75 47.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 110.943 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.573 ' N ' ' CD1' ' A' ' 25' ' ' PHE . 1.2 m-85 -134.69 156.09 49.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 111.01 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.404 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 68.0 mtp -79.04 161.25 26.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.463 ' CG ' ' O ' ' A' ' 48' ' ' LEU . 1.3 mmt -64.72 -37.88 89.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.1 t -71.58 -97.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.993 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.439 ' OD1' ' CG2' ' A' ' 31' ' ' THR . 5.5 t0 -73.54 81.45 1.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 mp -73.8 -14.46 61.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.439 ' CG2' ' OD1' ' A' ' 29' ' ' ASP . 5.2 t -86.49 4.67 38.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.354 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.539 ' O ' HG22 ' A' ' 32' ' ' ILE . 2.7 mm -129.9 96.21 26.68 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -45.7 155.02 0.55 Allowed 'Trans proline' 0 CA--C 1.568 2.187 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.508 ' CG1' ' HG3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -118.3 -41.67 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' C ' ' HG2' ' A' ' 36' ' ' ARG . 15.8 mttt -136.55 133.37 36.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' HG2' ' C ' ' A' ' 35' ' ' LYS . 2.8 mmm180 -142.23 121.02 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -176.83 -162.47 27.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.7 m -108.64 154.53 21.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 tt -145.79 174.86 2.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.557 1.16 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 20' ' ' LEU . 5.6 p-10 -100.85 -53.68 3.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 1.6 t -111.15 148.72 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.331 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.471 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.9 t -75.41 121.71 85.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.265 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 5.9 Cg_exo -73.46 154.93 50.69 Favored 'Trans proline' 0 CA--C 1.567 2.147 0 N-CA-C 120.135 3.09 . . . . 0.0 120.135 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -74.54 135.7 42.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.415 1.072 . . . . 0.0 109.359 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.544 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 4.2 m-80 -85.49 155.41 21.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 p -124.55 174.65 7.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.5 mt -84.1 7.47 18.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 27' ' ' MET . 13.6 mt -108.17 -50.72 3.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.31 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.594 HG23 ' CE1' ' A' ' 51' ' ' TYR . 2.7 m -130.47 156.85 42.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.43 139.82 48.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.594 ' CE1' HG23 ' A' ' 49' ' ' VAL . 5.8 m-85 -111.16 138.82 47.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.047 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.3 t -135.28 122.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.595 1.184 . . . . 0.0 109.333 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.0 m -103.9 162.77 12.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.429 1.081 . . . . 0.0 108.276 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 2.9 p -163.66 146.99 10.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.274 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.876 ' O ' HD13 ' A' ' 1' ' ' LEU . 0.2 OUTLIER -111.88 9.25 20.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 p -93.33 160.89 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 1.3 m-20 -77.78 154.54 31.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 57' ' ' ASP . 40.3 mtm180 37.0 44.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 110.345 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.568 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.0 p -85.41 -49.68 7.91 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.462 1.102 . . . . 0.0 108.335 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.422 ' C ' ' ND2' ' A' ' 60' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.404 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.0 143.82 50.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.4 m -136.29 164.01 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -70.77 149.69 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -96.22 -163.57 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.2 OUTLIER -42.96 -49.13 6.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.249 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.455 HG12 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -97.25 109.8 51.39 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 24.7 Cg_exo -60.59 9.64 0.07 OUTLIER 'Trans proline' 0 CA--C 1.567 2.139 0 N-CA-C 120.168 3.103 . . . . 0.0 120.168 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG22 HG12 ' A' ' 7' ' ' VAL . 1.4 tt -96.01 -3.13 10.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.06 138.15 15.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 23.5 p90 -120.93 161.92 20.76 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -135.77 178.4 7.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.418 1.074 . . . . 0.0 109.326 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.64 151.29 24.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.493 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 95.3 m -74.95 108.82 6.01 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 108.254 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 19.6 Cg_endo -48.13 171.72 0.05 OUTLIER 'Trans proline' 0 CA--C 1.568 2.184 0 N-CA-C 120.132 3.089 . . . . 0.0 120.132 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -61.25 137.57 58.24 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 95.44 -30.28 8.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.45 1.094 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' CE ' ' HG2' ' A' ' 15' ' ' PRO . 9.2 mtmt -103.21 155.51 18.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -145.66 -42.4 0.22 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.24 165.44 17.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 8.5 m -105.33 142.64 34.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 108.248 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -136.73 158.53 44.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.577 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -148.44 142.13 25.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.46 ' O ' HG22 ' A' ' 34' ' ' VAL . 3.6 mtm -121.1 130.69 53.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.577 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 5.5 m-85 -132.81 158.04 43.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.413 1.07 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.722 ' HA ' HG22 ' A' ' 49' ' ' VAL . 52.9 mtm -83.68 155.24 23.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.8 mmt -64.17 -33.81 76.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -73.46 -98.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.527 ' OD2' HD13 ' A' ' 32' ' ' ILE . 12.7 t0 -73.64 77.93 1.51 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 26' ' ' MET . 1.0 OUTLIER -71.71 -16.15 62.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.502 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -86.55 11.74 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.676 ' O ' HG22 ' A' ' 32' ' ' ILE . 0.7 OUTLIER -140.62 92.73 8.9 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.076 . . . . 0.0 109.255 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -55.18 161.83 6.38 Favored 'Trans proline' 0 CA--C 1.568 2.185 0 N-CA-C 120.122 3.085 . . . . 0.0 120.122 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.53 HG23 ' CG ' ' A' ' 35' ' ' LYS . 6.3 m -124.76 -42.13 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' CG ' HG23 ' A' ' 34' ' ' VAL . 5.9 mttp -131.17 138.64 49.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' NH1' ' HA ' ' A' ' 60' ' ' ASN . 40.3 mtt-85 -155.25 112.87 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.81 -143.66 3.76 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.556 1.16 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 59.7 m -117.81 166.4 12.51 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -154.61 170.85 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -45.16 5.97 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.432 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.3 OUTLIER -124.67 147.72 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.476 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -70.88 109.78 5.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 108.327 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 20.9 Cg_exo -63.67 155.5 62.89 Favored 'Trans proline' 0 CA--C 1.567 2.166 0 N-CA-C 120.104 3.079 . . . . 0.0 120.104 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 134.26 43.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.594 ' HA ' ' CD1' ' A' ' 51' ' ' TYR . 17.1 m-80 -86.03 157.26 20.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -121.46 173.52 7.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.888 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -86.26 13.74 7.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.0 mt -117.96 -49.17 2.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.722 HG22 ' HA ' ' A' ' 26' ' ' MET . 0.9 OUTLIER -129.71 155.8 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.94 153.61 28.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.41 1.069 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.603 ' CE1' HG12 ' A' ' 49' ' ' VAL . 2.5 m-85 -131.99 124.17 28.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.161 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.505 HG21 ' HE2' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -107.68 149.55 10.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 59.2 m -124.88 155.14 39.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 108.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.5 p -155.83 167.24 31.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.277 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -127.75 2.27 6.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 31.3 p -94.4 166.74 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.428 1.08 . . . . 0.0 110.393 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 58' ' ' ARG . 9.0 m-20 -82.15 162.93 22.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 57' ' ' ASP . 23.8 mtm180 36.99 35.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.8 p -85.92 -49.86 7.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.432 1.083 . . . . 0.0 108.317 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.484 ' CB ' ' HD2' ' A' ' 23' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.422 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.466 HD22 ' OD1' ' A' ' 19' ' ' ASN . 10.5 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.8 mttm -116.15 143.67 45.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.234 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 4.7 m -136.18 164.03 29.0 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.538 1.148 . . . . 0.0 108.253 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.4 m120 -75.59 165.67 24.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -95.63 -158.25 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -37.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.678 HG13 ' HD2' ' A' ' 8' ' ' PRO . 7.3 t -137.0 146.28 54.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.678 ' HD2' HG13 ' A' ' 7' ' ' VAL . 23.7 Cg_exo -61.0 14.31 0.04 OUTLIER 'Trans proline' 0 CA--C 1.568 2.217 0 N-CA-C 120.126 3.087 . . . . 0.0 120.126 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.595 HG23 HG12 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -96.64 -7.52 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.082 . . . . 0.0 109.351 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.06 127.77 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.438 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.4 p90 -132.3 150.3 52.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -136.59 178.54 6.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.46 149.23 25.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.336 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 96.4 m -73.92 120.25 80.33 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 17.7 Cg_endo -47.65 175.02 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.255 0 N-CA-C 120.131 3.089 . . . . 0.0 120.131 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -64.41 137.65 58.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.39 0.32 66.45 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.475 1.109 . . . . 0.0 111.049 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.78 104.91 7.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.466 ' OD1' HD22 ' A' ' 1' ' ' LEU . 26.4 t30 -111.2 -18.38 12.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.07 163.83 16.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' CB ' ' SG ' ' A' ' 59' ' ' CYS . 6.9 m -119.77 141.01 49.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 7.4 p90 -136.55 151.26 49.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.39 1.056 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.4 pttt -148.35 125.1 11.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.792 ' O ' HG12 ' A' ' 34' ' ' VAL . 67.5 mtp -94.44 141.46 28.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.591 ' CZ ' ' HB3' ' A' ' 33' ' ' PRO . 50.4 m-85 -134.94 135.42 41.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 25.5 mtp -74.84 158.28 33.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.979 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 3.7 mmt -63.15 -35.41 80.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.1 t -64.08 -97.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.994 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.411 ' OD2' HD12 ' A' ' 32' ' ' ILE . 12.9 t0 -75.89 79.35 2.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mt -71.5 -8.99 57.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.03 -24.78 26.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.411 HD12 ' OD2' ' A' ' 29' ' ' ASP . 9.5 mt -113.95 121.03 37.71 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 25' ' ' PHE . 42.4 Cg_endo -63.22 161.92 28.62 Favored 'Trans proline' 0 CA--C 1.568 2.177 0 N-CA-C 120.169 3.103 . . . . 0.0 120.169 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.792 HG12 ' O ' ' A' ' 24' ' ' MET . 5.6 p -113.69 -36.36 2.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 34' ' ' VAL . 16.1 mmtp -138.33 146.94 42.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -151.45 111.92 4.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.237 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.23 -149.35 5.58 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.5 m -129.47 160.65 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -150.79 -179.62 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 49.0 t0 -100.67 -46.27 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -124.25 158.96 30.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 3.6 t -71.47 111.29 9.73 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.407 1.067 . . . . 0.0 108.292 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 22.2 Cg_exo -62.68 174.42 2.92 Favored 'Trans proline' 0 CA--C 1.567 2.135 0 N-CA-C 120.153 3.097 . . . . 0.0 120.153 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.452 ' C ' ' ND2' ' A' ' 45' ' ' ASN . 20.1 mttt -67.83 176.65 2.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.453 1.096 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.524 ' HA ' ' CE1' ' A' ' 51' ' ' TYR . 0.9 OUTLIER -153.21 140.26 19.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -118.23 178.11 4.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -84.39 6.9 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.0 mt -108.06 -49.09 3.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.5 m -127.56 139.62 51.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -111.78 144.9 40.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.593 ' CD2' ' HG2' ' A' ' 24' ' ' MET . 4.4 m-85 -113.49 122.87 48.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.093 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -107.19 115.57 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.1 m -94.13 161.28 14.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.41 1.069 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.4 p -161.99 158.13 24.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.292 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -125.8 3.89 7.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.41 ' OG1' ' HB3' ' A' ' 59' ' ' CYS . 52.8 p -93.95 161.93 14.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.396 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ARG . 1.1 m-20 -75.14 157.31 34.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.549 1.155 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 57' ' ' ASP . 0.0 OUTLIER 37.96 44.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.504 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 29.6 p -85.63 -49.54 7.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.235 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 2.7 p-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -116.18 143.5 45.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 5.8 m -136.59 172.43 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 108.249 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.452 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 m-20 -81.37 165.42 21.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -93.65 -161.97 0.9 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.71 -35.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.101 . . . . 0.0 109.377 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.458 HG12 ' HD2' ' A' ' 8' ' ' PRO . 2.0 t -134.2 141.86 40.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.458 ' HD2' HG12 ' A' ' 7' ' ' VAL . 23.1 Cg_exo -61.64 10.05 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.209 0 N-CA-C 120.053 3.059 . . . . 0.0 120.053 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 tp -92.45 -8.1 10.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.22 121.66 6.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 53.3 p90 -122.2 154.42 37.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.3 mttp -135.92 -166.86 1.93 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.81 150.25 25.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 110.355 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 58.2 m -75.43 108.44 5.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HG2' ' CD ' ' A' ' 18' ' ' LYS . 18.5 Cg_endo -48.91 177.95 0.02 OUTLIER 'Trans proline' 0 CA--C 1.569 2.247 0 N-CA-C 120.046 3.056 . . . . 0.0 120.046 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.9 138.82 58.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.46 -29.28 9.18 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.491 1.119 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' A' ' 15' ' ' PRO . 7.7 mttt -87.24 157.03 19.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 0.792 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -145.65 -45.62 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.71 167.6 10.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.261 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 38' ' ' CYS . 6.3 m -104.43 146.35 28.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 108.3 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -134.68 137.14 43.32 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.59 ' HE3' ' CE2' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -134.82 123.02 22.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.243 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.566 ' O ' HG12 ' A' ' 34' ' ' VAL . 3.2 mtt -105.53 126.8 52.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.597 1.186 . . . . 0.0 111.03 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.59 ' CE2' ' HE3' ' A' ' 23' ' ' LYS . 9.3 m-30 -115.03 134.19 55.39 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 111.071 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.532 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 22.7 mtp -74.74 149.7 39.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 111.042 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.4 t -70.44 -97.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.032 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' HG22 ' A' ' 31' ' ' THR . 10.1 t0 -75.06 81.55 2.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' CD2' ' O ' ' A' ' 26' ' ' MET . 11.9 mt -75.35 -15.17 60.5 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.497 HG22 ' OD1' ' A' ' 29' ' ' ASP . 4.7 t -87.05 2.28 50.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 110.368 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.511 ' HA ' HD13 ' A' ' 32' ' ' ILE . 3.0 mm -144.72 105.51 4.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 50.1 Cg_exo -49.34 164.53 0.3 Allowed 'Trans proline' 0 CA--C 1.568 2.2 0 N-CA-C 120.173 3.105 . . . . 0.0 120.173 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 24' ' ' MET . 3.3 p -121.72 -38.22 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -136.58 133.95 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.79 108.94 3.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.236 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.4 -139.93 2.76 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.444 ' HA ' ' HA ' ' A' ' 21' ' ' CYS . 34.4 m -129.92 162.78 27.84 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.544 HG21 ' HD3' ' A' ' 43' ' ' PRO . 0.7 OUTLIER -151.64 167.12 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.342 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.44 -37.79 11.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 0.4 OUTLIER -125.94 132.24 70.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.405 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 6.5 t -64.32 107.48 1.38 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 108.276 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.544 ' HD3' HG21 ' A' ' 39' ' ' ILE . 17.5 Cg_exo -64.61 154.55 71.57 Favored 'Trans proline' 0 CA--C 1.567 2.134 0 N-CA-C 120.179 3.107 . . . . 0.0 120.179 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 51' ' ' TYR . 49.2 mttt -75.66 135.03 40.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 109.365 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -82.0 163.16 22.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.0 p -129.12 -179.82 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.94 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.8 mt -84.97 4.8 31.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 109.217 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.18 -53.37 2.66 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' CG2' ' HB3' ' A' ' 24' ' ' MET . 1.7 p -130.51 141.1 47.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 131.52 53.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.413 ' CE1' ' SD ' ' A' ' 24' ' ' MET . 12.3 m-85 -104.75 121.34 43.41 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -107.15 115.69 49.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -94.03 145.75 24.44 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.088 . . . . 0.0 108.303 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 3.0 p -147.37 165.58 29.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 108.288 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.16 6.1 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -95.13 162.63 13.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -77.19 155.56 32.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' ASP . 30.1 mtm180 38.32 40.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.437 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 31.7 p -84.57 -48.23 9.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 108.333 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 1.4 p-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.404 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.589 HD11 ' C ' ' A' ' 56' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 143.36 45.55 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.371 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 m -136.57 166.25 23.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 108.329 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.449 ' HA ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 m120 -76.63 154.54 34.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HG3' ' CD ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -95.87 -169.16 1.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.3 OUTLIER -43.31 -47.27 6.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.467 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 2.8 t -97.45 109.59 50.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 7' ' ' VAL . 25.2 Cg_exo -60.15 10.34 0.06 OUTLIER 'Trans proline' 0 CA--C 1.567 2.17 0 N-CA-C 120.123 3.086 . . . . 0.0 120.123 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.427 HG12 ' CG1' ' A' ' 7' ' ' VAL . 0.7 OUTLIER -94.85 -4.63 10.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.89 139.41 17.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CB ' ' HA ' ' A' ' 4' ' ' ASN . 28.3 p90 -130.76 157.52 42.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.42 ' CD ' ' HG3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -135.75 -166.22 1.82 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -99.85 144.22 29.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.411 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.503 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 77.9 m -64.52 108.1 1.76 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 108.292 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 14' ' ' CYS . 18.4 Cg_endo -48.9 170.36 0.08 OUTLIER 'Trans proline' 0 CA--C 1.568 2.18 0 N-CA-C 120.104 3.078 . . . . 0.0 120.104 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -62.04 133.73 55.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.4 -15.04 46.83 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.119 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.95 160.92 37.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -145.4 -41.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -78.51 157.74 28.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.8 m -103.9 144.03 32.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.592 ' CE2' ' C ' ' A' ' 37' ' ' GLY . 9.5 p90 -131.59 141.68 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.994 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HB2' ' CZ ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -129.44 123.79 32.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.431 1.082 . . . . 0.0 109.341 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.699 ' O ' HG12 ' A' ' 34' ' ' VAL . 4.6 mtt -103.15 130.11 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 23' ' ' LYS . 41.6 m-85 -127.35 151.08 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 61' ' ' HOH . 62.7 mtp -82.3 163.76 21.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mmt -64.67 -38.33 90.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 111.057 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 t -71.17 -98.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.557 1.161 . . . . 0.0 109.982 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' OD2' HD12 ' A' ' 32' ' ' ILE . 5.4 t0 -76.09 84.96 2.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.76 -11.92 60.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -85.99 -13.89 46.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.426 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.49 HD12 ' OD2' ' A' ' 29' ' ' ASP . 8.8 mt -111.82 102.8 54.36 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.354 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -49.94 144.79 20.5 Favored 'Trans proline' 0 CA--C 1.568 2.201 0 N-CA-C 120.101 3.077 . . . . 0.0 120.101 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 24' ' ' MET . 6.2 p -109.08 -38.62 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.643 ' HE3' HG22 ' A' ' 34' ' ' VAL . 8.3 mmtt -140.47 145.7 37.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.365 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -146.6 127.79 14.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.592 ' C ' ' CE2' ' A' ' 22' ' ' TYR . . . -177.78 -165.78 33.31 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.8 m -120.76 165.02 15.71 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -155.11 -179.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.21 -52.02 3.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.341 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HD3' ' A' ' 43' ' ' PRO . 1.6 t -107.95 153.74 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 4.0 t -75.46 109.79 8.73 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 108.258 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 42' ' ' CYS . 15.6 Cg_exo -66.1 151.89 82.61 Favored 'Trans proline' 0 CA--C 1.568 2.182 0 N-CA-C 120.141 3.093 . . . . 0.0 120.141 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -74.67 139.42 43.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -85.52 167.22 15.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -120.97 174.32 6.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.439 1.087 . . . . 0.0 110.028 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.4 mt -84.44 7.69 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.74 -48.76 2.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.606 HG23 ' CE1' ' A' ' 51' ' ' TYR . 3.2 m -130.71 161.61 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 24' ' ' MET . 0.6 OUTLIER -122.79 143.91 49.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.606 ' CE1' HG23 ' A' ' 49' ' ' VAL . 13.3 m-85 -116.89 120.48 38.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 111.037 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.433 HG12 ' HD3' ' A' ' 23' ' ' LYS . 3.2 t -107.72 136.17 43.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -101.15 154.03 19.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 4.5 p -157.67 130.31 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 108.267 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' ND2' ' C ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -95.72 9.76 39.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.589 ' C ' HD11 ' A' ' 1' ' ' LEU . 22.2 p -94.79 160.92 14.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.395 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' ARG . 0.3 OUTLIER -82.5 159.92 22.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 57' ' ' ASP . 5.2 mtp180 37.0 39.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.364 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -85.32 -46.38 11.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . 0.438 ' O ' ' HB2' ' A' ' 26' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_