data_1kg1_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 1kg1 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -112.51 96.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -48.2 109.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -112.41 164.29 13.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.44 108.45 20.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -127.98 165.73 19.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 11.5 m -103.44 149.53 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.07 -11.14 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -27.94 6.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -150.77 79.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER 173.19 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 174.59 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.46 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . . . -50.09 125.96 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -143.8 -175.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.5 132.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.18 158.81 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.67 85.11 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -118.43 156.73 28.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 26.9 m-70 -95.7 172.08 8.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -30.77 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 2.92 17.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -124.26 150.37 45.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.2 p -126.71 170.17 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.2 170.7 19.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 ' CD1' ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -67.12 93.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 79.3 t -70.64 143.51 89.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.08 -172.37 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.77 142.93 10.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.73 110.26 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.7 m -89.25 126.02 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.19 132.27 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 5.3 ttm180 -127.78 91.07 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.69 -81.73 0.16 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -139.47 23.19 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 m -130.61 118.02 20.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.97 148.59 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 tp -147.6 144.61 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -118.8 118.12 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.35 174.86 10.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.07 116.68 32.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 5.1 m -160.5 128.28 4.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.602 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -90.44 167.01 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 12.6 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.484 0.183 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.61 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -128.93 177.77 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.1 m -119.67 156.34 53.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 167.38 27.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.5 m -63.82 129.06 38.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.68 -5.12 64.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 36.0 m-85 -115.81 174.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -144.62 -177.94 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.97 133.77 34.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB3' ' NE2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -112.31 85.35 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.84 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.08 161.11 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.628 1.205 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.14 124.38 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 m -116.14 158.85 22.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.306 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.21 142.51 41.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 108.329 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.51 -7.11 55.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.12 -32.99 4.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -151.77 81.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 176.34 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.4 121.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.38 122.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.21 148.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -68.89 151.51 46.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.13 147.94 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t -94.61 82.01 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 HD23 ' CG ' ' A' ' 24' ' ' GLU . 3.4 mp -109.83 156.7 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 3' ' ' CYS . 63.2 m80 -105.9 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.39 -27.52 67.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.31 0.42 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' CG ' HD23 ' A' ' 20' ' ' LEU . 5.1 tp10 -129.14 151.06 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -150.22 136.13 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -123.18 173.72 7.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 108.262 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.523 HD22 ' CZ ' ' A' ' 44' ' ' TYR . 6.7 tp -64.81 77.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 3.1 p -65.67 142.56 98.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.05 -168.09 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.416 1.745 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.02 146.75 16.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -106.3 104.4 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.492 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 11.3 m -87.94 112.29 22.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.75 143.81 46.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.246 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.2 127.63 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.75 -88.86 0.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.598 1.186 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.42 29.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.2 m -135.2 122.03 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -120.01 147.9 44.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.95 132.01 14.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -111.28 110.65 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.68 177.75 10.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -89.15 116.64 27.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -147.06 100.25 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.034 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 1.3 m-85 -97.01 163.1 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 45.7 t80 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.528 0.204 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 150.48 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 20.7 m -115.49 123.61 31.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 108.271 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -60.94 135.16 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.43 0.91 86.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 35.9 m-85 -127.18 144.94 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 0.803 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.7 mtp180 -139.75 109.51 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -35.14 125.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -112.9 91.92 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.8 p90 -36.08 98.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -107.8 148.31 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.6 120.57 24.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -134.61 169.04 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 1.8 m -110.11 143.87 39.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.355 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.12 -13.23 38.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.84 -24.28 7.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 74.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.56 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.5 117.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -36.46 125.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -145.17 178.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.56 136.21 33.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.96 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.36 78.77 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.47 157.65 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 39.2 m-70 -97.46 174.36 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.06 3.26 17.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.178 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.34 151.34 42.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 139.96 38.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.75 171.84 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.56 HD12 ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -72.48 90.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 79.8 t -63.34 143.62 97.72 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.1 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.03 146.52 16.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -104.6 126.76 51.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 70.7 m -101.63 124.0 46.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 108.276 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 131.5 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.683 ' CZ ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 ttm180 -132.2 92.22 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.51 -84.98 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.96 23.4 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -128.34 122.49 31.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -96.96 147.12 24.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 4.1 mm? -137.55 161.97 34.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.503 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 2.9 m -142.6 115.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.36 177.99 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.7 118.93 37.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 108.288 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -157.08 104.33 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CD1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -98.2 160.23 14.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.094 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 92.3 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.469 0.176 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.596 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -119.58 -169.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 1.7 m -152.61 155.18 32.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 167.52 26.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 127.02 29.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.02 -5.56 59.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CE1' ' CZ ' ' A' ' 34' ' ' ARG . 38.6 m-85 -112.4 168.73 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 0.732 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 mmp_? -136.59 -167.1 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -98.58 123.09 42.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.77 79.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.431 ' CD1' ' O ' ' A' ' 5' ' ' TYR . 7.3 p90 -48.92 116.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.3 m -127.09 164.28 21.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.443 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.4 114.09 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.5 m -123.1 167.54 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.26 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.6 m -101.1 147.95 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -15.1 34.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.79 -25.24 6.8 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.416 1.072 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.78 72.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 175.02 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 177.7 133.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.32 129.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 p -143.45 -172.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 m -92.2 146.76 23.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.93 147.75 39.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.26 89.5 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -121.02 153.96 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -91.96 175.46 6.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.593 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -31.27 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.26 2.89 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.073 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -125.46 154.32 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -150.13 138.2 20.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 110.042 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.6 167.81 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.651 ' CD2' ' CZ ' ' A' ' 44' ' ' TYR . 10.5 tp -60.46 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.481 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 6.2 p -72.93 141.87 82.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.06 -171.12 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.83 138.87 7.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 1.5 m-20 -97.07 108.64 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . 55.1 m -90.44 119.98 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -110.13 141.69 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 108.242 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 56' ' ' GLY . 4.8 tpm_? -150.98 121.9 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -87.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -145.01 27.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -135.88 120.27 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.99 146.79 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' CD2' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.65 150.83 31.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -113.66 118.88 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' CD2' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.32 170.9 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.14 119.84 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -149.42 88.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.651 ' CZ ' ' CD2' ' A' ' 27' ' ' LEU . 1.1 m-85 -89.79 163.83 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 32.7 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.5 0.19 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -148.67 116.69 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 2.6 m -78.17 135.57 62.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.1 Cg_endo -75.1 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -61.49 127.11 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.504 ' O ' ' CD ' ' A' ' 34' ' ' ARG . . . 100.17 -1.17 56.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 38.6 m-85 -121.62 158.86 27.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -140.53 101.01 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 pt20 -37.62 126.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.411 ' O ' ' OG1' ' A' ' 6' ' ' THR . 2.1 tpm_? -109.19 80.79 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -44.2 122.99 3.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 3.9 m -133.14 166.12 23.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.29 129.87 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 70.9 m -140.78 165.04 28.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 1.6 m -95.3 160.31 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -87.58 -16.09 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -38.29 3.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . -152.9 72.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 6.6 tp -178.86 -99.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 13' ' ' LEU . 20.2 mmtt -145.09 -179.0 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.182 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . . . -101.84 120.42 40.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -122.99 174.08 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 t -93.18 152.29 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.067 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.91 158.71 44.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 6.7 t -109.47 91.32 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.12 155.47 29.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 8.1 m170 -93.26 177.64 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.65 -30.32 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.32 1.99 23.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -127.05 153.26 46.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.47 137.86 19.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.03 170.58 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.613 ' CD2' ' CZ ' ' A' ' 44' ' ' TYR . 7.0 tp -60.84 87.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.507 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 54.4 t -77.15 144.6 71.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.12 156.97 27.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -102.57 117.85 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.2 m -92.07 118.6 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.72 130.63 36.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' LYS . 10.2 ttp180 -131.29 102.33 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.04 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 17.8 ptmt -130.93 45.55 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -156.52 122.67 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -98.26 147.11 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 1.1 tt -139.16 162.01 36.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -134.97 114.03 12.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.92 169.34 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.0 m -100.22 127.19 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 108.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.81 105.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.077 . . . . 0.0 110.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.613 ' CZ ' ' CD2' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -103.31 159.3 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 38.7 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.551 0.215 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -140.77 150.87 43.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.6 150.43 45.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.05 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -62.4 132.13 51.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.366 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.68 -6.52 82.06 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 52.6 m-85 -115.87 157.05 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.3 mpp_? -150.47 125.35 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -35.78 140.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 108.348 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.2 ttp180 -112.34 96.01 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.98 115.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.3 m -122.14 164.76 17.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.6 107.78 18.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.4 162.64 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.76 152.59 22.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 108.358 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -105.56 7.56 32.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -24.69 6.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -89.74 44.72 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.503 ' C ' ' O ' ' A' ' 12' ' ' ALA . 2.5 mm? 31.9 54.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.12 78.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.7 137.8 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.54 164.46 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.34 130.89 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.94 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.87 83.33 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.53 158.82 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.27 172.03 8.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -32.23 73.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.04 2.68 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -123.06 147.0 47.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.25 151.16 51.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.54 170.47 14.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 ' CZ ' ' A' ' 44' ' ' TYR . 3.5 tt -60.28 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -80.99 148.07 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.39 142.06 9.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.95 100.39 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.9 m -89.18 118.82 29.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 139.12 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 108.347 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 35' ' ' GLY . 2.5 tmm_? -137.96 126.26 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 50.48 -93.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -132.5 48.46 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -151.42 154.89 37.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 37.6 ttp180 -132.94 151.79 52.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.418 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 53.1 tp -150.03 110.56 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 m -101.47 102.02 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.86 169.4 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 67.2 m -90.94 134.68 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 108.396 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.5 116.01 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -92.54 161.67 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 66.1 t80 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.557 0.217 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -149.3 126.99 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.17 150.92 96.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.29 126.15 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.14 -2.09 65.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 58.9 m-85 -114.87 158.2 22.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -150.24 129.92 13.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -38.69 143.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 108.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.452 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.89 89.16 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 5.2 m-85 -43.78 112.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.4 m -116.06 164.0 15.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.32 107.86 19.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -120.82 165.85 14.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.26 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.8 155.66 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.36 -8.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.451 ' CA ' HD12 ' A' ' 27' ' ' LEU . . . 92.95 -35.1 4.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.025 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 13' ' ' LEU . . . -152.73 76.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.802 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.2 tp 177.6 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 109.228 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.87 145.24 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 138.67 58.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.33 166.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.2 132.1 35.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.17 157.77 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 18.5 t -95.08 88.47 5.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -111.5 166.42 11.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -108.3 171.73 7.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 109.657 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.2 -30.17 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 1.96 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -129.3 154.93 46.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.5 p -131.21 168.5 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -146.63 174.03 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 1.1 tt -62.71 79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 69.0 t -76.4 143.2 72.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.522 1.801 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.604 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.8 144.62 12.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -97.31 106.96 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 31.9 m -89.9 118.61 29.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -112.98 143.35 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.66 125.04 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.11 -88.3 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.078 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -148.47 29.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m -139.02 121.27 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -124.24 146.05 48.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -151.2 150.75 30.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.379 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.501 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -114.64 124.91 53.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.15 -174.22 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.5 m -114.48 117.45 31.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -160.62 103.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.8 m-85 -102.9 179.81 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.519 0.2 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -144.47 72.36 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 22.2 m -52.34 122.68 25.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.227 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.97 4.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.1 m -60.71 129.63 42.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 95.82 0.92 61.95 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 39' ' ' LEU . 38.3 m-85 -125.92 150.1 48.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -137.8 101.71 4.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 tt0 -35.48 124.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' TYR . 2.9 mtt85 -119.98 84.41 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' ARG . 3.8 p90 -36.49 105.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.1 152.25 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.82 107.43 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m -106.85 153.21 22.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 50.5 m -86.87 156.84 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.03 30.59 2.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -18.29 37.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -122.28 -135.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.534 ' C ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.93 -20.61 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -65.79 112.96 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.14 138.62 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.48 166.64 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 135.57 34.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.4 148.09 52.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -89.93 80.56 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.262 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -101.12 157.3 16.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 31.7 m-70 -102.03 176.8 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -28.73 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.9 2.53 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -125.12 154.15 41.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 p -145.17 135.31 23.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 109.951 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -121.5 175.1 6.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.573 HD22 ' CE2' ' A' ' 44' ' ' TYR . 1.8 tm? -70.16 89.67 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 2.7 p -74.67 142.97 77.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.02 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.547 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.02 148.45 19.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -106.07 110.83 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 m -89.12 123.04 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -104.43 134.82 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.316 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -130.2 103.28 6.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.56 -86.52 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -133.95 20.05 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 0.801 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -119.02 157.87 26.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NH1' ' HG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -138.46 145.3 40.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.1 147.88 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.455 ' HG1' ' NH1' ' A' ' 38' ' ' ARG . 34.3 m -117.52 124.2 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 39' ' ' LEU . 64.6 mt -150.13 178.27 9.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 12' ' ' ALA . 3.6 m -110.43 119.09 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.265 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -152.39 140.91 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 27' ' ' LEU . 13.1 m-85 -110.01 172.79 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 71.2 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.48 0.181 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.587 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -126.33 -177.21 3.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.25 152.27 77.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.98 172.03 17.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -64.68 129.8 41.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.01 -2.96 80.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 59.6 m-85 -115.0 160.44 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -150.76 125.17 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.5 tt0 -37.24 141.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.312 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -109.71 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 37.3 m-85 -36.27 97.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -102.84 143.64 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.431 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.12 100.37 10.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 m -102.77 155.31 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.303 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.98 133.69 46.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 12' ' ' ALA . 3.0 p-10 -90.15 3.47 53.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.4 23.45 0.81 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.0 47.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.405 0.709 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER 157.04 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.86 -178.8 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.08 125.77 29.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.82 159.7 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -79.35 144.22 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.62 136.95 34.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 53.4 t -92.01 85.47 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 108.237 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.56 ' CD2' ' CG ' ' A' ' 24' ' ' GLU . 4.0 mp -116.27 158.57 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 63.1 m80 -103.35 -179.11 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.563 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.2 -27.82 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.33 0.16 30.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.56 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.6 tp10 -127.19 153.19 46.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.97 138.65 20.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -124.9 173.23 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 44' ' ' TYR . 11.6 tp -61.94 82.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.502 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -74.85 153.56 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 -172.33 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.42 154.81 25.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.505 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -104.41 124.36 49.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 52.4 m -103.71 117.39 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 128.66 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.412 ' NH2' ' HA3' ' A' ' 56' ' ' GLY . 6.5 ttm180 -127.74 89.71 2.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.5 -84.21 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.528 1.142 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 20.94 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -126.83 111.58 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.937 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.37 147.41 22.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 3.4 mm? -138.2 161.13 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.505 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 12.6 m -144.19 107.2 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.88 -179.18 7.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.81 126.83 52.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -160.67 121.96 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -89.91 161.55 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 6.2 t80 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.5 0.19 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 m -127.76 147.01 61.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.02 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.3 m -61.21 132.03 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 34' ' ' ARG . . . 91.79 -4.44 78.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.463 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -120.6 151.72 39.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.51 119.89 11.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.7 pt20 -36.72 126.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 8.4 tpp180 -105.6 89.73 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -41.6 114.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.2 m -117.01 166.35 12.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.41 107.38 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 m -117.72 156.97 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.7 160.17 16.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.8 -7.18 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.74 -34.1 3.99 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -152.71 68.66 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -179.97 -96.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.42 -176.17 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.43 128.36 49.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.25 171.81 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -92.41 134.36 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.78 158.86 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.64 89.75 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.24 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -124.49 166.19 16.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 64.6 m80 -114.09 -179.49 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -26.02 64.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -0.77 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.0 tp10 -130.58 156.48 44.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -136.13 171.35 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -151.91 173.73 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.311 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -65.54 92.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.496 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 75.1 t -78.61 143.38 63.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.05 -171.08 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.13 152.97 24.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -119.54 106.13 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.495 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 4.4 m -89.27 125.01 34.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 14.9 p -123.16 149.17 44.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 4.1 tpm_? -157.31 126.25 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.2 -92.13 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.59 24.28 2.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.2 m -128.21 153.38 46.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 32.5 ttp180 -150.14 150.67 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.45 141.25 21.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.1 m -120.37 125.32 47.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.59 -169.9 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.0 m -122.42 113.46 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 m -161.48 130.22 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CE1' ' CD1' ' A' ' 27' ' ' LEU . 9.8 m-85 -131.18 -178.51 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.2 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.533 0.206 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -113.15 92.46 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.62 135.06 43.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.67 24.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -61.87 128.89 38.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 94.94 1.57 63.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.495 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 34.1 m-85 -128.87 144.37 51.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 110.964 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 15.3 ptm180 -142.8 128.35 19.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ARG . 14.0 pt20 -37.18 132.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -111.86 95.82 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -47.77 107.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 m -108.51 164.99 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.4 107.97 20.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.25 155.94 20.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.85 159.05 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.94 15.03 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.466 ' HA2' ' CD2' ' A' ' 27' ' ' LEU . . . 83.8 -14.95 39.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.584 1.178 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.08 -131.48 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 0.721 . . . . 0.0 109.231 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' C ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.26 -25.6 21.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.231 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.41 155.36 29.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.54 131.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.8 -174.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -101.66 134.8 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.06 28.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.0 t -94.09 86.2 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -115.96 157.18 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.423 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 m80 -103.81 178.59 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -27.89 65.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.95 2.12 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.48 155.66 40.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.75 124.94 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 p -109.05 178.32 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.386 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 7.9 tp -72.96 80.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.496 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 53.5 t -67.88 144.26 97.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.94 -168.28 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.71 152.16 24.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 6.8 m-20 -105.72 124.42 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.84 116.19 32.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.99 123.83 37.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 7.4 ttm180 -120.31 89.06 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.52 -84.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.91 26.47 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -136.2 105.46 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.37 149.17 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 2.0 mt -140.53 162.65 34.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -140.9 107.87 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.76 172.95 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.43 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.7 m -88.96 115.09 26.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -160.32 95.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 7.7 m-85 -103.79 168.45 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.5 t80 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.463 0.173 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -150.52 75.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -47.6 151.48 1.46 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -60.52 134.27 56.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.419 ' HA3' ' NH2' ' A' ' 34' ' ' ARG . . . 85.82 -2.22 87.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 44.1 m-85 -123.59 153.2 41.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.8 ptm180 -150.03 125.98 10.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.2 pt20 -34.84 142.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 4.9 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 13.6 mmm180 -88.46 -144.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.68 114.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -141.83 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 27.6 mt -101.2 103.25 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.54 154.21 19.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -78.01 156.07 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 108.351 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.55 21.47 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.76 4.32 39.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.942 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.54 44.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER 79.57 -53.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 13' ' ' LEU . 22.1 mtmt -38.33 144.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.97 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.84 161.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.99 125.17 33.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.49 158.47 27.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 5.5 t -104.21 88.26 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 108.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.89 160.85 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.509 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 1.9 m170 -95.28 171.26 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.9 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.15 2.73 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -125.32 147.75 49.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -137.33 140.86 41.76 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.76 175.79 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.285 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 44' ' ' TYR . 5.3 tp -65.9 89.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 74.0 t -79.86 143.81 58.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.07 -169.57 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.61 152.2 24.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.11 109.15 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.2 m -88.96 110.86 21.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' ARG . 29.1 p -116.8 141.39 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER -160.79 128.24 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.01 -95.46 0.28 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -139.2 26.73 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 p -135.08 140.81 45.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 28.3 ttp180 -144.51 150.37 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 4.1 tp -151.08 142.05 22.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.7 m -114.47 110.16 19.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.56 173.18 14.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.433 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -89.02 115.97 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.392 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -155.0 88.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 27' ' ' LEU . 1.6 m-85 -100.7 168.49 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.442 0.163 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -141.64 71.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.7 m -54.11 131.56 59.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.03 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 m -60.83 127.03 29.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . 95.96 4.21 60.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 40.5 m-85 -129.25 154.33 46.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' CYS . 3.3 tmt_? -145.29 111.38 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 3.7 pt20 -36.75 126.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 108.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' TYR . 20.7 mtp180 -106.3 61.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' ARG . 43.2 p90 -35.81 125.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.53 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' N ' ' OG1' ' A' ' 6' ' ' THR . 2.5 mp -105.37 114.65 28.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -121.45 164.0 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 1.7 m -109.53 148.34 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.3 -10.8 45.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' CA ' ' OH ' ' A' ' 44' ' ' TYR . . . 86.38 -25.79 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.95 83.59 1.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 0.746 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 165.69 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 179.1 133.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . . . -54.15 140.42 32.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.15 163.27 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.14 131.04 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.28 157.46 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -93.08 82.4 4.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 108.364 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -97.46 158.3 15.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.17 -178.04 3.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.49 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' GLU . 2.2 p -78.82 -77.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 26.1 tp10 -35.96 153.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.3 t -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.072 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -139.53 174.66 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -81.43 94.13 6.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -80.16 143.58 56.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.7 Cg_endo -74.92 -171.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 161.94 28.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -109.53 111.41 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.0 m -89.58 125.86 35.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 136.33 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -133.8 114.25 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.45 -94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -127.3 43.63 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -149.3 162.49 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -147.44 147.99 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.3 143.81 24.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 19.7 m -116.04 121.79 43.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.52 -175.81 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 29' ' ' PRO . 5.2 m -113.42 123.96 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.04 142.48 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.578 ' CE2' HD21 ' A' ' 27' ' ' LEU . 30.1 m-85 -101.0 172.52 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 52' ' ' GLN . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 71.5 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.58 0.228 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HA3' ' A' ' 45' ' ' GLY . 2.8 tp60 -150.58 155.6 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 152.88 43.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.21 27.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m -64.75 127.76 32.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.22 -5.38 61.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -113.87 177.32 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -147.61 -179.99 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.03 122.81 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 42.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 22' ' ' GLU . 0.9 OUTLIER -89.45 -146.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 84.6 t80 -178.15 106.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -140.65 166.56 24.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.88 99.62 11.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.19 161.15 13.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.08 144.32 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -13.56 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.14 -25.06 7.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 70.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 177.45 -93.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -178.06 132.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.17 124.69 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.27 163.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 1.3 p -74.09 133.67 42.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.88 157.54 45.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 109.24 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 t -107.6 108.32 19.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -128.46 158.29 38.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 18.8 m-70 -93.18 170.45 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.28 -31.72 71.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.88 3.66 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.927 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.12 152.87 42.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 129.45 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 p -106.46 176.27 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 108.252 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 44' ' ' TYR . 3.6 tp -68.9 76.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -74.0 149.5 87.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 -169.46 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 51' ' ' PHE . . . -148.36 140.1 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 5.1 m-20 -89.23 107.0 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.05 121.56 32.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 8.5 m -104.55 143.96 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.61 126.84 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.31 -99.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -127.83 51.41 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -157.79 156.32 31.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -149.65 146.51 27.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 41' ' ' LEU . 2.3 pp -151.93 150.29 29.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -114.07 114.06 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 39' ' ' LEU . 4.8 mt -142.79 -175.22 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 73.6 m -111.32 124.45 52.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 31.8 t -155.85 90.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 42' ' ' CYS . 1.2 m-85 -105.68 165.91 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 13.2 t80 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.47 0.176 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -133.56 108.84 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.42 135.86 46.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -75.01 176.39 9.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -61.3 131.02 49.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.32 -1.43 73.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.9 m-85 -123.23 153.89 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 6.9 ptp180 -147.74 123.21 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -36.79 140.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.372 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 31' ' ' ASP . 34.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 3.0 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -108.08 95.83 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.53 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 98.9 m-85 -52.13 132.65 33.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -142.84 163.49 32.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -96.7 116.59 29.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.9 m -126.33 165.26 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' CB ' HD21 ' A' ' 27' ' ' LEU . 4.1 m -85.06 159.12 20.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.427 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -100.14 42.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.01 -23.93 21.14 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.85 -133.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.6 -32.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.23 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HG3' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -50.3 101.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.69 129.92 34.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.12 154.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 133.83 33.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.29 163.83 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 4.2 t -116.57 97.68 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mp -116.81 156.72 26.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 3' ' ' CYS . 2.9 m170 -90.49 173.6 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.46 -32.3 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.45 2.9 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -124.5 157.2 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.66 137.91 21.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -111.29 173.09 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 44' ' ' TYR . 4.5 tp -58.86 84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 79.0 t -78.06 143.52 65.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.93 165.73 29.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 17.4 m-20 -108.12 125.56 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 0.714 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 m -106.93 117.3 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.2 131.94 46.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tmm_? -133.13 126.95 32.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.444 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 39.38 -94.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ARG . 15.5 pttp -127.49 54.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -158.56 159.14 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 6.7 tmm_? -134.96 150.53 50.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 3.6 mm? -141.59 162.1 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 2.5 m -143.38 103.78 4.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -151.09 -172.41 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.5 m -108.52 132.26 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.5 t -161.51 99.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 27' ' ' LEU . 6.4 m-85 -103.26 177.04 4.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 2.1 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.499 0.19 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' SER . 5.1 tm0? -143.47 71.43 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -45.58 153.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -63.85 129.33 39.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 110.418 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -11.26 67.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 63.4 m-85 -107.13 166.37 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -150.76 124.13 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -39.32 127.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -95.32 77.67 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.559 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 93.7 m-85 -50.73 117.51 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -131.65 162.73 29.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.408 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.06 118.87 29.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.6 m -130.36 166.81 19.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.2 m -102.1 148.19 25.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.6 -6.49 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.17 -32.92 4.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -151.73 88.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 169.01 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.6 123.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -37.04 119.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -130.2 -169.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.507 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 22.2 p -88.46 153.71 20.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.24 152.81 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 6.1 t -114.0 93.23 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD2' ' HG3' ' A' ' 24' ' ' GLU . 6.2 mp -128.48 160.5 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -90.98 -177.97 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.45 -30.07 70.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -79.55 -78.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.5 tp10 -38.36 151.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 20' ' ' LEU . 1.3 m -140.61 164.86 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.59 170.86 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.345 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.576 HD23 ' CE2' ' A' ' 44' ' ' TYR . 6.4 tp -69.1 91.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -65.97 143.4 98.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.88 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.448 1.762 . . . . 0.0 111.074 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.64 140.7 8.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.17 118.83 37.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -99.99 115.54 29.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.253 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.29 122.61 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.167 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LYS . 5.8 ttp180 -114.55 108.44 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.49 -86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.88 38.6 3.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -143.99 165.26 28.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 41.9 ttp180 -134.21 150.87 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 20.4 mt -146.15 103.93 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.1 m -93.39 110.22 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.48 172.05 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.06 115.24 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.33 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.558 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 16.5 t -159.04 95.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.576 ' CE2' HD23 ' A' ' 27' ' ' LEU . 1.4 m-85 -89.88 163.41 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 15.5 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.598 0.237 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.35 125.13 9.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.27 153.89 76.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 108.27 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.97 175.85 10.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 m -62.72 134.04 55.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.79 -4.73 84.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 47.1 m-85 -116.45 149.73 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLN . 14.1 ptm180 -145.42 125.4 13.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -37.59 127.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.6 OUTLIER -116.22 93.89 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.43 123.23 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 9.0 m -135.56 168.75 18.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -106.55 133.79 50.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.0 m -133.99 164.71 26.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 108.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.54 147.48 29.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 108.257 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -13.75 38.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.03 -25.38 6.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 71.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 173.35 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.05 153.89 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.32 119.37 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.82 176.44 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -107.48 149.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.67 164.3 36.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 t -89.77 87.09 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 ' CD2' ' SG ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -92.96 172.81 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 51.3 m80 -132.26 -177.23 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -51.75 -36.52 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.46 12.22 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -33.77 142.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.3 p -151.79 91.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 6.2 p -145.66 -178.11 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.4 tp -91.71 86.71 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.503 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -75.93 150.23 83.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.08 -173.0 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.604 1.844 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' CA ' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.71 157.22 27.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 109.78 21.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 29.5 m -89.45 117.83 28.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.09 119.6 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.34 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NH2' ' HA3' ' A' ' 56' ' ' GLY . 7.1 ttm180 -113.06 88.92 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.42 -78.83 0.12 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.33 24.2 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -134.59 104.59 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -94.51 144.45 25.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.24 129.25 16.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.2 m -106.37 114.07 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.65 175.01 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.1 m -99.3 115.4 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.262 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.7 p -157.55 94.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -106.42 174.55 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -146.6 73.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -53.76 129.5 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.247 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -176.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.96 134.69 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' NH2' ' A' ' 34' ' ' ARG . . . 87.85 -3.68 85.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 41.7 m-85 -122.37 147.57 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -145.02 123.12 12.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.0 mt-30 -37.12 126.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 5' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -101.32 66.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 82.8 m-85 -36.91 118.53 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.479 ' CG2' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -142.52 172.47 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.7 mp -90.17 122.38 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.0 m -139.01 170.58 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -100.85 128.19 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 108.331 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -10.83 43.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.81 10.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -148.98 87.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 7.1 tp 153.85 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 96.84 135.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . . . -37.56 117.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -145.0 -176.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.425 ' N ' HG12 ' A' ' 16' ' ' VAL . 14.4 m -79.26 144.59 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 158.69 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 46.3 t -109.29 91.68 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -113.69 166.9 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 2.7 m170 -106.16 170.98 7.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -30.16 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 1.54 21.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 1.8 tp10 -129.12 152.7 48.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 164.7 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 p -137.42 178.88 6.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 44' ' ' TYR . 7.3 tp -93.4 98.02 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 57.0 t -69.13 144.16 94.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.589 1.836 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.69 153.21 25.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.19 109.53 20.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 5.2 m -88.98 120.61 30.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -107.83 137.08 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.253 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.61 127.44 18.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.02 -97.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -130.82 47.89 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -153.32 156.45 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.9 ttp180 -143.39 150.37 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -150.5 133.54 16.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.9 m -111.63 112.41 24.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.407 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.16 171.21 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 4.0 m -89.49 118.91 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.9 m -153.71 109.14 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -89.62 161.55 16.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 23.5 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.471 0.177 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.462 ' NE2' ' H ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -140.35 -177.3 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.462 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 1.3 m -122.13 139.48 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.223 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.98 175.77 10.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -61.14 130.92 48.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.41 -1.56 79.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.0 m-85 -123.25 155.63 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -148.37 120.53 8.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 5.9 tt0 -36.95 137.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -103.27 89.45 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.201 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -51.88 113.94 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -125.88 163.09 23.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.17 109.24 20.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 m -105.54 158.64 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.04 155.15 19.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -15.19 34.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 27' ' ' LEU . . . 86.07 -26.55 6.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.98 60.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 179.92 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmmt -150.68 -176.66 5.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.45 117.15 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 p -116.93 173.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 p -87.65 149.98 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.03 158.6 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.21 91.63 3.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.323 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 158.24 26.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 33.9 m-70 -98.48 173.95 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -66.31 -31.36 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.05 2.37 20.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -125.66 146.6 49.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 146.94 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.935 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -127.81 178.37 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.6 tp -64.93 75.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 26' ' ' CYS . 2.9 p -65.57 142.09 98.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.01 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.09 156.85 27.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.505 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.5 m-20 -106.54 125.2 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 16.0 m -102.73 122.25 44.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 0.7 OUTLIER -96.37 132.1 42.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 6.2 ttm180 -131.21 89.07 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.24 -83.01 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.396 1.06 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -137.09 22.16 3.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -128.58 118.79 23.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -97.0 147.65 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -140.23 159.61 41.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 7.6 m -138.27 114.53 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.45 -172.29 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -110.46 122.16 47.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 108.209 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -160.71 115.36 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 44.3 m-85 -116.06 179.34 4.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.484 0.183 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.13 66.44 1.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.2 m -50.59 151.53 4.0 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.02 167.95 25.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.2 m -63.54 126.2 26.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.84 -5.74 53.98 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 43.3 m-85 -114.3 176.71 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -147.12 -175.02 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.36 124.47 35.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.414 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.6 mtm-85 -103.86 77.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 5' ' ' TYR . 5.9 p90 -46.61 117.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.0 m -130.66 166.39 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 112.54 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.1 m -111.56 163.08 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -103.17 132.89 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -105.21 21.7 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.62 26.98 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -127.49 -126.87 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -37.71 -65.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 177.6 176.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 119.44 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -121.62 155.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -73.08 151.4 41.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 153.58 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -99.37 86.33 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -112.36 166.17 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 69.2 m80 -118.45 -179.29 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.574 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -25.42 64.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -1.33 36.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -131.76 155.72 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 134.92 17.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.65 170.37 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 9.4 tp -63.49 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 76.2 t -68.46 143.41 95.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 -167.8 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -148.79 150.62 22.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.563 1.164 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.1 m-20 -107.15 121.99 45.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' CB ' ' CD2' ' A' ' 57' ' ' TYR . 5.0 m -97.28 116.64 29.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.6 m -114.31 141.26 47.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 108.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -153.31 114.79 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.34 -98.41 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 24.46 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 m -123.92 153.22 41.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 42.0 ttp180 -147.31 152.26 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 1.6 tp -150.49 160.89 43.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 35.2 m -139.87 110.09 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.85 -169.41 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.58 122.63 45.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 108.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -160.16 92.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.576 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -101.88 173.08 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.495 0.188 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.46 70.49 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -48.07 135.99 11.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.01 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.413 1.744 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.55 123.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 99.37 -7.05 59.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CD2' ' CB ' ' A' ' 32' ' ' CYS . 5.5 m-30 -114.26 150.96 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.324 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 4.6 pt20 -35.39 136.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.047 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.564 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -102.42 69.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.569 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 92.3 m-85 -46.17 117.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.485 ' CG2' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -143.57 173.7 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.1 mt -98.51 119.82 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.34 161.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -100.78 132.73 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 12' ' ' ALA . 69.1 m-20 -118.93 32.21 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.06 27.01 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 10' ' ' ASP . . . -103.13 -129.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.07 -37.11 86.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 172.03 -169.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 116.23 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.24 146.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 150.87 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.64 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 5' ' ' TYR . 5.5 t -113.11 95.98 5.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -126.67 167.38 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m170 -113.18 -179.84 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -26.02 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -0.99 33.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.939 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -130.53 157.62 42.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 159.62 41.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.432 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 1.1 p -138.37 176.75 8.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.89 85.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 2.6 p -69.79 143.21 91.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.6 Cg_endo -74.92 -172.59 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.46 152.82 24.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -107.0 110.25 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.787 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 39' ' ' LEU . 16.3 m -89.17 121.02 31.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 108.277 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 129.22 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.1 ttp180 -127.6 101.34 6.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.12 -81.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.573 1.171 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -140.6 24.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -132.32 112.66 12.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -103.31 145.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.234 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 1.4 pt? -150.25 137.98 19.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -107.93 119.04 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.44 169.2 22.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.13 120.43 31.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -154.74 126.44 7.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.997 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.51 165.49 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 43' ' ' SER . 2.4 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.421 0.153 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.3 tt0 -143.63 -176.86 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.74 145.55 34.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.244 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.0 178.05 7.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 t -61.6 135.7 57.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.09 -4.77 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 42.9 m-85 -119.37 153.57 34.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.7 tmt_? -147.49 122.36 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.4 mt-30 -37.56 130.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.618 ' CB ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 6' ' ' THR . 14.9 mtm180 -118.89 99.72 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -46.15 116.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.4 m -128.56 166.1 19.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -108.94 117.83 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 m -118.9 157.61 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 m -75.57 149.78 38.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LYS . 9.9 m-20 -94.36 29.36 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.22 3.11 44.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.16 45.92 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 71.09 -54.48 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.54 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.46 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.72 122.98 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.5 144.44 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 p -84.82 135.27 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.973 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.32 157.85 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -93.64 82.38 4.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.168 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -102.79 157.4 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 3' ' ' CYS . 63.8 m80 -106.28 -179.67 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.544 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.22 1.75 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.94 156.36 39.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.3 p -148.27 147.45 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -136.03 172.47 12.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.641 ' CD1' ' CE1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -66.91 93.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 69.5 t -81.51 143.87 52.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.226 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 -169.6 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.598 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 150.26 22.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -114.42 102.57 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 3.2 m -89.43 121.57 31.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 3.4 p -120.76 148.53 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.38 120.62 4.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.01 -88.18 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.2 26.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -131.12 121.3 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 9.3 ptm180 -122.66 148.12 45.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 tp -150.69 132.92 15.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.443 ' CG2' ' CG ' ' A' ' 31' ' ' ASP . 10.0 m -115.0 112.69 23.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -152.02 171.63 17.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.404 ' N ' HD11 ' A' ' 41' ' ' LEU . 32.5 m -94.3 124.58 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 108.235 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 t -160.13 109.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.641 ' CE1' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -95.3 164.29 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.966 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.598 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 5.3 t80 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.493 0.187 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' SER . 4.0 tp60 -148.44 90.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 60.4 m -60.5 147.25 83.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.36 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.0 167.83 26.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -63.43 130.93 46.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 92.24 -1.27 73.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.48 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 43.6 m-85 -124.8 147.07 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 0.803 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.3 ptp180 -145.92 129.28 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -37.34 131.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 108.356 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -107.12 88.76 2.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -49.23 115.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -120.82 162.74 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.26 101.43 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.5 m -111.31 164.52 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -90.38 155.88 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.358 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.454 ' OD2' ' CD2' ' A' ' 13' ' ' LEU . 7.7 m-20 -89.25 -11.71 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -35.77 4.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.85 67.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 ' CD2' ' OD2' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -178.9 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -178.37 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.64 117.66 30.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.97 178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.27 116.39 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.97 151.03 25.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -99.06 84.4 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.51 ' CD2' ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -117.41 158.64 24.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -95.14 175.01 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.03 -31.18 71.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.38 3.44 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.7 tp10 -122.94 154.8 37.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.04 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.61 169.5 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.259 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.34 93.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.359 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 29' ' ' PRO . 1.2 t -78.85 150.56 75.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.401 ' N ' HG11 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.12 147.0 17.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -108.19 104.6 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 1.3 m -89.85 124.76 34.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.69 143.61 31.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.36 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -141.45 103.37 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.401 1.063 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -85.79 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -141.09 24.09 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -132.88 123.73 26.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 110.055 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.8 ttp180 -105.95 152.68 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.23 125.95 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 7.2 m -109.6 120.42 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 39' ' ' LEU . 30.8 mt -150.96 -179.84 7.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 m -109.49 119.36 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.353 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -160.8 141.48 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -100.5 175.63 5.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 52' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 86.4 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.508 0.194 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -141.83 -157.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.77 171.85 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.06 172.33 16.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.477 1.778 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 m -62.72 126.23 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.41 -10.06 46.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 3.4 m-85 -107.77 117.49 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -132.03 124.74 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.8 tt0 -33.7 137.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.564 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' TYR . 44.3 ttp180 -95.66 73.19 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.0 m-85 -36.26 122.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -139.16 172.87 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.4 mm? -95.08 117.75 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.3 m -121.46 161.98 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.273 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 m -105.06 146.74 28.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.335 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.45 -7.28 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.25 -32.6 4.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.39 84.3 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.582 0.813 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.33 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -177.1 122.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.09 117.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 p -129.02 173.03 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 m -72.17 151.8 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.25 157.8 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -111.09 92.96 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -128.33 158.3 38.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.637 1.211 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 68.7 m80 -104.14 -179.65 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -26.87 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.76 1.48 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.12 151.5 48.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -136.84 127.54 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.9 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.264 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -78.12 95.81 5.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -82.67 143.9 47.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.04 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -147.99 146.31 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 0.0 111.065 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 0.7 OUTLIER -106.77 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 5.1 m -92.2 124.41 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 30.1 p -118.01 146.99 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.439 ' CB ' ' HA ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -158.96 127.81 5.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.11 -90.19 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 27.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 p -140.46 138.0 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 32.1 ttp180 -141.32 151.64 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -151.3 150.19 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -117.17 126.84 53.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 39' ' ' LEU . 85.9 mt -150.69 -176.43 5.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.23 116.43 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 6.7 m -159.92 135.77 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -98.13 174.53 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 87.4 t80 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.537 0.208 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -120.06 -171.44 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.7 m -143.13 144.57 29.23 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.99 166.06 30.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -62.4 128.47 36.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.3 0.79 58.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 46.5 m-85 -126.21 159.36 33.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -145.7 118.47 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -36.83 128.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.341 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.548 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -114.47 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -43.99 123.06 3.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 1.9 m -128.38 163.26 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.0 mt -90.73 114.14 26.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.3 m -108.75 156.93 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.39 159.96 14.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -89.7 15.28 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.54 -12.75 44.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.39 -131.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.8 -24.61 21.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.414 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.54 163.69 15.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.27 129.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.86 175.25 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.1 t -92.9 155.9 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.17 162.03 40.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.47 93.78 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 HD22 ' CG ' ' A' ' 24' ' ' GLU . 5.7 mp -120.53 158.82 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 55.0 m80 -98.03 -179.84 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.65 0.75 28.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' CG ' HD22 ' A' ' 20' ' ' LEU . 3.8 tp10 -127.87 153.99 46.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.26 133.26 16.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -111.11 177.99 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.363 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -65.78 73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' CYS . 4.4 p -62.17 141.79 95.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.596 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.07 149.53 21.54 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.115 . . . . 0.0 111.076 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -108.95 115.24 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 m -89.71 114.17 25.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -114.76 141.47 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -152.47 125.9 8.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.13 -98.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -123.49 51.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 t -153.88 153.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 6.7 tmm_? -150.25 150.07 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 10.3 tp -151.12 162.46 40.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 38.9 m -138.3 113.84 9.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.43 -173.78 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -106.95 117.68 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.615 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 13.9 m -160.32 115.86 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.5 m-85 -112.67 179.44 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 110.989 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 43' ' ' SER . 1.5 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.472 0.177 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -129.72 64.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -49.42 137.62 16.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.4 6.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.23 132.93 55.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 82.86 6.11 88.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 32.6 m-85 -131.68 144.14 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -143.53 123.35 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -36.24 141.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.5 155.58 25.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.9 160.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -112.51 96.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -48.2 109.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -112.41 164.29 13.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.44 108.45 20.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -127.98 165.73 19.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 11.5 m -103.44 149.53 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.07 -11.14 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -27.94 6.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.515 ' O ' ' CD1' ' A' ' 13' ' ' LEU . . . -150.77 79.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' CD1' ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER 173.19 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 174.59 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.46 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . . . -50.09 125.96 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 p -143.8 -175.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.5 132.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.18 158.81 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.67 85.11 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -118.43 156.73 28.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 26.9 m-70 -95.7 172.08 8.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -30.77 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 2.92 17.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -124.26 150.37 45.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.2 p -126.71 170.17 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.2 170.7 19.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 ' CD1' ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -67.12 93.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 79.3 t -70.64 143.51 89.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.08 -172.37 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.77 142.93 10.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.73 110.26 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.7 m -89.25 126.02 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.19 132.27 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 5.3 ttm180 -127.78 91.07 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.69 -81.73 0.16 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -139.47 23.19 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 m -130.61 118.02 20.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.97 148.59 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 tp -147.6 144.61 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -118.8 118.12 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.35 174.86 10.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.07 116.68 32.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 5.1 m -160.5 128.28 4.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.602 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -90.44 167.01 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -126.34 119.09 3.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -38.68 125.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.46 -63.7 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.89 -68.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -147.75 71.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.23 153.79 25.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 12.6 t80 -100.02 148.31 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.61 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -128.93 177.77 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.1 m -119.67 156.34 53.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 167.38 27.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.5 m -63.82 129.06 38.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.68 -5.12 64.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 36.0 m-85 -115.81 174.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -144.62 -177.94 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.97 133.77 34.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -119.89 161.43 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB3' ' NE2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER 59.69 158.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.553 1.158 . . . . 0.0 108.254 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -112.31 85.35 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.84 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.08 161.11 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.628 1.205 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -94.14 124.38 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.1 m -116.14 158.85 22.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.306 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.21 142.51 41.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 108.329 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.51 -7.11 55.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.12 -32.99 4.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -151.77 81.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 176.34 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.4 121.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -40.38 122.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -122.21 148.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.0 p -68.89 151.51 46.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.13 147.94 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t -94.61 82.01 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 HD23 ' CG ' ' A' ' 24' ' ' GLU . 3.4 mp -109.83 156.7 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 3' ' ' CYS . 63.2 m80 -105.9 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.39 -27.52 67.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.31 0.42 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' CG ' HD23 ' A' ' 20' ' ' LEU . 5.1 tp10 -129.14 151.06 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -150.22 136.13 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -123.18 173.72 7.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 108.262 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.523 HD22 ' CZ ' ' A' ' 44' ' ' TYR . 6.7 tp -64.81 77.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 3.1 p -65.67 142.56 98.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.05 -168.09 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.416 1.745 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.02 146.75 16.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -106.3 104.4 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.492 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 11.3 m -87.94 112.29 22.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.75 143.81 46.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.246 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.2 127.63 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.75 -88.86 0.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.598 1.186 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.42 29.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.2 m -135.2 122.03 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -120.01 147.9 44.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.95 132.01 14.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -111.28 110.65 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.68 177.75 10.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -89.15 116.64 27.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -147.06 100.25 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.034 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.523 ' CZ ' HD22 ' A' ' 27' ' ' LEU . 1.3 m-85 -97.01 163.1 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.86 152.81 5.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 59.64 151.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.39 -49.48 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.77 -57.96 0.62 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.91 98.82 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.51 -137.06 2.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 45.7 t80 -126.02 151.37 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 150.48 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 20.7 m -115.49 123.61 31.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 108.271 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -60.94 135.16 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.43 0.91 86.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 35.9 m-85 -127.18 144.94 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 0.803 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.7 mtp180 -139.75 109.51 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -35.14 125.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 1.2 mtm180 -115.61 156.37 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER 86.76 137.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.373 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -112.9 91.92 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.8 p90 -36.08 98.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -107.8 148.31 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.6 120.57 24.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -134.61 169.04 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 1.8 m -110.11 143.87 39.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.355 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.12 -13.23 38.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.84 -24.28 7.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 74.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.56 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.5 117.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -36.46 125.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.9 p -145.17 178.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.56 136.21 33.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.96 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.36 78.77 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.47 157.65 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 39.2 m-70 -97.46 174.36 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.06 3.26 17.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.178 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.34 151.34 42.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 139.96 38.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.75 171.84 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.56 HD12 ' CD1' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -72.48 90.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 79.8 t -63.34 143.62 97.72 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.1 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.03 146.52 16.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.508 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -104.6 126.76 51.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 70.7 m -101.63 124.0 46.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 108.276 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 131.5 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.683 ' CZ ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 ttm180 -132.2 92.22 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.51 -84.98 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.96 23.4 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -128.34 122.49 31.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -96.96 147.12 24.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 4.1 mm? -137.55 161.97 34.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.503 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 2.9 m -142.6 115.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.503 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.36 177.99 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.7 118.93 37.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 108.288 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -157.08 104.33 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.56 ' CD1' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -98.2 160.23 14.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.46 145.54 14.32 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.77 144.71 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 0.809 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.51 42.27 99.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.18 -104.54 0.35 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -149.72 81.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 37.55 -109.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 92.3 t80 -63.91 149.67 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.596 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -119.58 -169.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 1.7 m -152.61 155.18 32.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 167.52 26.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 127.02 29.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.02 -5.56 59.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CE1' ' CZ ' ' A' ' 34' ' ' ARG . 38.6 m-85 -112.4 168.73 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 0.732 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 mmp_? -136.59 -167.1 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -98.58 123.09 42.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -133.21 160.05 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.84 161.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 108.238 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.77 79.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.431 ' CD1' ' O ' ' A' ' 5' ' ' TYR . 7.3 p90 -48.92 116.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.3 m -127.09 164.28 21.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.443 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.4 114.09 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.5 m -123.1 167.54 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.26 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.6 m -101.1 147.95 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -15.1 34.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.79 -25.24 6.8 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.416 1.072 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.78 72.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 175.02 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 177.7 133.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.32 129.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.0 p -143.45 -172.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.1 m -92.2 146.76 23.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.959 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -140.93 147.75 39.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.26 89.5 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -121.02 153.96 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -91.96 175.46 6.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.593 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -31.27 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.26 2.89 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.073 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -125.46 154.32 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -150.13 138.2 20.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 110.042 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.6 167.81 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 108.28 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.651 ' CD2' ' CZ ' ' A' ' 44' ' ' TYR . 10.5 tp -60.46 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.481 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 6.2 p -72.93 141.87 82.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.481 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.06 -171.12 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.83 138.87 7.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 1.5 m-20 -97.07 108.64 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.42 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . 55.1 m -90.44 119.98 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -110.13 141.69 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 108.242 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 56' ' ' GLY . 4.8 tpm_? -150.98 121.9 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -87.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -145.01 27.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -135.88 120.27 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.99 146.79 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' CD2' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.65 150.83 31.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -113.66 118.88 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD22 ' CD2' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.32 170.9 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -90.14 119.84 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -149.42 88.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.651 ' CZ ' ' CD2' ' A' ' 27' ' ' LEU . 1.1 m-85 -89.79 163.83 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.34 -165.75 12.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' CD ' ' N ' ' A' ' 46' ' ' GLU . 7.5 mp0 -130.52 139.23 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.256 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.81 42.51 3.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.17 -108.21 1.26 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' GLY . 2.6 t-20 -150.32 87.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . 36.95 -110.23 0.09 OUTLIER Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 32.7 t80 -56.89 151.89 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.383 0.696 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -148.67 116.69 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 2.6 m -78.17 135.57 62.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.1 Cg_endo -75.1 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -61.49 127.11 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.504 ' O ' ' CD ' ' A' ' 34' ' ' ARG . . . 100.17 -1.17 56.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 38.6 m-85 -121.62 158.86 27.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -140.53 101.01 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 pt20 -37.62 126.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.42 155.63 46.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 178.82 153.32 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 108.241 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' O ' ' OG1' ' A' ' 6' ' ' THR . 2.1 tpm_? -109.19 80.79 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.2 p90 -44.2 122.99 3.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.948 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 3.9 m -133.14 166.12 23.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.29 129.87 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 70.9 m -140.78 165.04 28.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 1.6 m -95.3 160.31 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -87.58 -16.09 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -38.29 3.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . -152.9 72.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 6.6 tp -178.86 -99.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 13' ' ' LEU . 20.2 mmtt -145.09 -179.0 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.182 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' A' ' 9' ' ' CYS . . . -101.84 120.42 40.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -122.99 174.08 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.8 t -93.18 152.29 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.067 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.91 158.71 44.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 6.7 t -109.47 91.32 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.12 155.47 29.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 8.1 m170 -93.26 177.64 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.65 -30.32 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.32 1.99 23.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -127.05 153.26 46.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.47 137.86 19.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.03 170.58 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.613 ' CD2' ' CZ ' ' A' ' 44' ' ' TYR . 7.0 tp -60.84 87.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.507 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 54.4 t -77.15 144.6 71.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.12 156.97 27.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -102.57 117.85 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.2 m -92.07 118.6 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.72 130.63 36.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' LYS . 10.2 ttp180 -131.29 102.33 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.04 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 17.8 ptmt -130.93 45.55 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -156.52 122.67 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -98.26 147.11 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.5 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 1.1 tt -139.16 162.01 36.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -134.97 114.03 12.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.92 169.34 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.0 m -100.22 127.19 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 108.296 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.81 105.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.077 . . . . 0.0 110.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.613 ' CZ ' ' CD2' ' A' ' 27' ' ' LEU . 1.0 OUTLIER -103.31 159.3 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -146.58 68.43 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' GLY . 2.4 pt-20 -36.63 139.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.0 85.69 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.59 -71.25 0.47 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 1.6 t-20 -150.63 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 0.721 . . . . 0.0 109.377 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -32.87 -44.29 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 38.7 t80 -106.78 150.78 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -140.77 150.87 43.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.6 150.43 45.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.05 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -62.4 132.13 51.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.366 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.68 -6.52 82.06 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 52.6 m-85 -115.87 157.05 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.3 mpp_? -150.47 125.35 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -35.78 140.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 108.348 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 2.3 mtm180 -97.66 156.54 16.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 2' ' ' ARG . 0.5 OUTLIER 76.72 157.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.402 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.2 ttp180 -112.34 96.01 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.98 115.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.3 m -122.14 164.76 17.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.6 107.78 18.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.4 162.64 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.76 152.59 22.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 108.358 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -105.56 7.56 32.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -24.69 6.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -89.74 44.72 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.503 ' C ' ' O ' ' A' ' 12' ' ' ALA . 2.5 mm? 31.9 54.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.12 78.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.7 137.8 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.54 164.46 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -88.34 130.89 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.94 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.87 83.33 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.53 158.82 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.27 172.03 8.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -32.23 73.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.04 2.68 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -123.06 147.0 47.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.25 151.16 51.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.54 170.47 14.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD12 ' CZ ' ' A' ' 44' ' ' TYR . 3.5 tt -60.28 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -80.99 148.07 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.39 142.06 9.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.95 100.39 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.9 m -89.18 118.82 29.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 139.12 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 108.347 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 35' ' ' GLY . 2.5 tmm_? -137.96 126.26 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 50.48 -93.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -132.5 48.46 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -151.42 154.89 37.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 37.6 ttp180 -132.94 151.79 52.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.418 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 53.1 tp -150.03 110.56 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 m -101.47 102.02 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.86 169.4 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.472 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 67.2 m -90.94 134.68 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 108.396 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.5 116.01 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.654 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -92.54 161.67 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.07 152.86 7.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.7 9.46 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.23 100.04 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.99 -32.74 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -113.4 79.85 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.75 172.98 32.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 66.1 t80 -109.7 150.14 28.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -149.3 126.99 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.17 150.92 96.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.29 126.15 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.14 -2.09 65.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 58.9 m-85 -114.87 158.2 22.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -150.24 129.92 13.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -38.69 143.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 108.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -123.03 160.25 26.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.17 160.89 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.89 89.16 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 5.2 m-85 -43.78 112.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.4 m -116.06 164.0 15.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.32 107.86 19.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -120.82 165.85 14.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.26 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.8 155.66 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.36 -8.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.451 ' CA ' HD12 ' A' ' 27' ' ' LEU . . . 92.95 -35.1 4.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.025 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 13' ' ' LEU . . . -152.73 76.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.802 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.2 tp 177.6 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 109.228 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.87 145.24 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 138.67 58.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.33 166.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.2 132.1 35.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.17 157.77 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 18.5 t -95.08 88.47 5.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -111.5 166.42 11.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 2.9 m170 -108.3 171.73 7.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 109.657 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.2 -30.17 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 1.96 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -129.3 154.93 46.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.5 p -131.21 168.5 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -146.63 174.03 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 1.1 tt -62.71 79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.487 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 69.0 t -76.4 143.2 72.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.487 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.522 1.801 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.604 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.8 144.62 12.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 0.9 OUTLIER -97.31 106.96 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.434 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 31.9 m -89.9 118.61 29.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -112.98 143.35 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.66 125.04 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.11 -88.3 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.078 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -148.47 29.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m -139.02 121.27 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -124.24 146.05 48.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.553 HD11 ' CE1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -151.2 150.75 30.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.379 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.501 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 0.7 OUTLIER -114.64 124.91 53.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.15 -174.22 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.5 m -114.48 117.45 31.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -160.62 103.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.8 m-85 -102.9 179.81 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.79 -86.34 1.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -157.1 147.25 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.3 47.54 81.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 48.03 80.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' GLY . 11.3 t-20 -114.75 62.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 44' ' ' TYR . . . 37.42 -109.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.604 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -112.96 164.44 13.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -144.47 72.36 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 22.2 m -52.34 122.68 25.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.227 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.97 4.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.1 m -60.71 129.63 42.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 95.82 0.92 61.95 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.553 ' CE1' HD11 ' A' ' 39' ' ' LEU . 38.3 m-85 -125.92 150.1 48.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -137.8 101.71 4.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 tt0 -35.48 124.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -84.83 163.86 18.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.13 159.55 44.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' TYR . 2.9 mtt85 -119.98 84.41 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' ARG . 3.8 p90 -36.49 105.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.1 152.25 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.82 107.43 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m -106.85 153.21 22.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 50.5 m -86.87 156.84 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.03 30.59 2.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -18.29 37.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -122.28 -135.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.534 ' C ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.93 -20.61 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -65.79 112.96 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.14 138.62 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -143.48 166.64 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.33 135.57 34.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.4 148.09 52.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -89.93 80.56 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.262 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -101.12 157.3 16.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 31.7 m-70 -102.03 176.8 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -28.73 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.9 2.53 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -125.12 154.15 41.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 p -145.17 135.31 23.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 109.951 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -121.5 175.1 6.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.573 HD22 ' CE2' ' A' ' 44' ' ' TYR . 1.8 tm? -70.16 89.67 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.478 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 2.7 p -74.67 142.97 77.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.478 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.02 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.547 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.02 148.45 19.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -106.07 110.83 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 m -89.12 123.04 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -104.43 134.82 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.316 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -130.2 103.28 6.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.56 -86.52 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -133.95 20.05 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 0.801 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -119.02 157.87 26.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NH1' ' HG1' ' A' ' 40' ' ' THR . 0.0 OUTLIER -138.46 145.3 40.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -149.1 147.88 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.455 ' HG1' ' NH1' ' A' ' 38' ' ' ARG . 34.3 m -117.52 124.2 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD12 ' CD1' ' A' ' 39' ' ' LEU . 64.6 mt -150.13 178.27 9.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 12' ' ' ALA . 3.6 m -110.43 119.09 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.265 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -152.39 140.91 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 27' ' ' LEU . 13.1 m-85 -110.01 172.79 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -156.79 21.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 59.16 152.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.21 48.7 3.64 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.12 -100.6 0.14 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -151.29 106.2 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.84 147.87 9.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.143 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 71.2 t80 -69.4 149.83 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.587 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -126.33 -177.21 3.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.25 152.27 77.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.98 172.03 17.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -64.68 129.8 41.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.01 -2.96 80.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 59.6 m-85 -115.0 160.44 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.9 OUTLIER -150.76 125.17 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.5 tt0 -37.24 141.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.312 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -130.95 159.19 38.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -43.56 128.14 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.432 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -109.71 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 37.3 m-85 -36.27 97.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -102.84 143.64 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.431 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.12 100.37 10.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 m -102.77 155.31 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.303 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.98 133.69 46.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 12' ' ' ALA . 3.0 p-10 -90.15 3.47 53.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.4 23.45 0.81 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.0 47.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.405 0.709 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.594 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER 157.04 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.86 -178.8 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.08 125.77 29.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.82 159.7 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -79.35 144.22 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.62 136.95 34.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.443 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 53.4 t -92.01 85.47 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 108.237 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.56 ' CD2' ' CG ' ' A' ' 24' ' ' GLU . 4.0 mp -116.27 158.57 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 63.1 m80 -103.35 -179.11 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.563 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.2 -27.82 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.33 0.16 30.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.56 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.6 tp10 -127.19 153.19 46.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.97 138.65 20.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -124.9 173.23 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.568 HD23 ' CE1' ' A' ' 44' ' ' TYR . 11.6 tp -61.94 82.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.502 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -74.85 153.56 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 -172.33 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.42 154.81 25.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.505 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -104.41 124.36 49.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 52.4 m -103.71 117.39 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 128.66 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.412 ' NH2' ' HA3' ' A' ' 56' ' ' GLY . 6.5 ttm180 -127.74 89.71 2.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.5 -84.21 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.528 1.142 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 20.94 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -126.83 111.58 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.937 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -93.37 147.41 22.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 3.4 mm? -138.2 161.13 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.505 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 12.6 m -144.19 107.2 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.88 -179.18 7.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.81 126.83 52.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -160.67 121.96 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.568 ' CE1' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -89.91 161.55 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.05 -134.55 5.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.16 11.53 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.803 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 49' ' ' ASN . . . -163.13 93.94 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' GLY . . . -36.86 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' GLY . 13.1 m120 -89.54 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 178.26 78.24 0.06 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 6.2 t80 -43.31 150.24 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 m -127.76 147.01 61.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.463 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.02 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.3 m -61.21 132.03 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA3' ' NH2' ' A' ' 34' ' ' ARG . . . 91.79 -4.44 78.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.463 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -120.6 151.72 39.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.51 119.89 11.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.7 pt20 -36.72 126.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.483 ' C ' ' CG ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.483 ' CG ' ' C ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 167.51 163.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.571 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -57.12 159.2 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.314 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 8.4 tpp180 -105.6 89.73 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -41.6 114.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.2 m -117.01 166.35 12.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.41 107.38 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 m -117.72 156.97 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.7 160.17 16.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.8 -7.18 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.74 -34.1 3.99 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -152.71 68.66 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -179.97 -96.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.42 -176.17 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.43 128.36 49.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.25 171.81 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -92.41 134.36 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.78 158.86 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.64 89.75 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.24 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -124.49 166.19 16.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 64.6 m80 -114.09 -179.49 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -26.02 64.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -0.77 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.0 tp10 -130.58 156.48 44.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -136.13 171.35 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -151.91 173.73 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.311 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' CD1' ' CE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -65.54 92.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.496 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 75.1 t -78.61 143.38 63.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.05 -171.08 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.13 152.97 24.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -119.54 106.13 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.495 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 4.4 m -89.27 125.01 34.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 14.9 p -123.16 149.17 44.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 4.1 tpm_? -157.31 126.25 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.2 -92.13 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.59 24.28 2.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.2 m -128.21 153.38 46.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 32.5 ttp180 -150.14 150.67 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 0.0 OUTLIER -151.45 141.25 21.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.1 m -120.37 125.32 47.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.59 -169.9 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.0 m -122.42 113.46 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 m -161.48 130.22 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.649 ' CE1' ' CD1' ' A' ' 27' ' ' LEU . 9.8 m-85 -131.18 -178.51 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.61 -88.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.06 149.69 45.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.51 -47.54 2.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -42.26 -44.14 4.86 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -130.78 84.74 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.56 -72.34 0.22 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.2 t80 -75.88 154.89 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -113.15 92.46 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.62 135.06 43.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.67 24.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -61.87 128.89 38.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 94.94 1.57 63.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.495 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 34.1 m-85 -128.87 144.37 51.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 110.964 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 15.3 ptm180 -142.8 128.35 19.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ARG . 14.0 pt20 -37.18 132.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -39.48 159.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.25 162.25 33.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.268 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -111.86 95.82 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -47.77 107.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.5 m -108.51 164.99 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.4 107.97 20.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.25 155.94 20.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.85 159.05 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.94 15.03 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.466 ' HA2' ' CD2' ' A' ' 27' ' ' LEU . . . 83.8 -14.95 39.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.584 1.178 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.08 -131.48 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 0.721 . . . . 0.0 109.231 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' C ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.26 -25.6 21.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.231 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.41 155.36 29.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.54 131.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.7 p -148.8 -174.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.3 m -101.66 134.8 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.06 28.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.0 t -94.09 86.2 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -115.96 157.18 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.423 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 m80 -103.81 178.59 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -27.89 65.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.95 2.12 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.48 155.66 40.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.75 124.94 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 p -109.05 178.32 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.386 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.536 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 7.9 tp -72.96 80.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.496 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 53.5 t -67.88 144.26 97.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.94 -168.28 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.71 152.16 24.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 6.8 m-20 -105.72 124.42 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.84 116.19 32.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.99 123.83 37.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . 7.4 ttm180 -120.31 89.06 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.52 -84.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.91 26.47 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -136.2 105.46 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.37 149.17 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 2.0 mt -140.53 162.65 34.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -140.9 107.87 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.43 HD13 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.76 172.95 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.43 ' N ' HD13 ' A' ' 41' ' ' LEU . 2.7 m -88.96 115.09 26.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -160.32 95.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 7.7 m-85 -103.79 168.45 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 46' ' ' GLU . . . -85.55 14.46 51.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 52.29 109.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 0.748 . . . . 0.0 110.28 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 31.71 45.06 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.45 -108.67 3.15 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -150.85 73.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.84 -120.01 5.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.5 t80 -111.94 161.77 16.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 0.802 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -150.52 75.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -47.6 151.48 1.46 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -60.52 134.27 56.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.419 ' HA3' ' NH2' ' A' ' 34' ' ' ARG . . . 85.82 -2.22 87.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 44.1 m-85 -123.59 153.2 41.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.8 ptm180 -150.03 125.98 10.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.2 pt20 -34.84 142.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 58.13 158.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 4.9 p -94.1 173.77 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 108.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 13.6 mmm180 -88.46 -144.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.68 114.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -141.83 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 27.6 mt -101.2 103.25 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.54 154.21 19.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 71.7 m -78.01 156.07 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 108.351 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.55 21.47 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.76 4.32 39.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.942 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.54 44.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.1 OUTLIER 79.57 -53.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 13' ' ' LEU . 22.1 mtmt -38.33 144.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.97 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.84 161.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.99 125.17 33.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.49 158.47 27.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 5.5 t -104.21 88.26 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 108.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.89 160.85 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' N ' ' CD2' ' A' ' 21' ' ' HIS . 1.9 m170 -95.28 171.26 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.9 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.15 2.73 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -125.32 147.75 49.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -137.33 140.86 41.76 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.76 175.79 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.285 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 44' ' ' TYR . 5.3 tp -65.9 89.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.502 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 74.0 t -79.86 143.81 58.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.07 -169.57 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.562 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.61 152.2 24.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.11 109.15 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.2 m -88.96 110.86 21.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' ARG . 29.1 p -116.8 141.39 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' ' 56' ' ' GLY . 0.5 OUTLIER -160.79 128.24 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.01 -95.46 0.28 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -139.2 26.73 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 p -135.08 140.81 45.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 28.3 ttp180 -144.51 150.37 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 4.1 tp -151.08 142.05 22.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.7 m -114.47 110.16 19.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.56 173.18 14.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.433 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -89.02 115.97 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.392 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -155.0 88.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 27' ' ' LEU . 1.6 m-85 -100.7 168.49 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.6 -143.16 6.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -116.91 138.36 51.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.79 -55.24 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.55 -63.39 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -150.06 92.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -165.74 172.06 41.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -107.02 166.09 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 111.06 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -141.64 71.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.7 m -54.11 131.56 59.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.03 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 m -60.83 127.03 29.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . 95.96 4.21 60.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 40.5 m-85 -129.25 154.33 46.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' CYS . 3.3 tmt_? -145.29 111.38 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 3.7 pt20 -36.75 126.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 108.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.15 158.72 34.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.66 165.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' TYR . 20.7 mtp180 -106.3 61.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' ARG . 43.2 p90 -35.81 125.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.53 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' N ' ' OG1' ' A' ' 6' ' ' THR . 2.5 mp -105.37 114.65 28.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -121.45 164.0 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 1.7 m -109.53 148.34 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -89.3 -10.8 45.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' CA ' ' OH ' ' A' ' 44' ' ' TYR . . . 86.38 -25.79 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.95 83.59 1.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 0.746 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 165.69 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 179.1 133.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . . . -54.15 140.42 32.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.15 163.27 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.14 131.04 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.28 157.46 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -93.08 82.4 4.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 108.364 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -97.46 158.3 15.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.17 -178.04 3.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.49 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' GLU . 2.2 p -78.82 -77.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 26.1 tp10 -35.96 153.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.3 t -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.072 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -139.53 174.66 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.578 HD21 ' CE2' ' A' ' 44' ' ' TYR . 0.4 OUTLIER -81.43 94.13 6.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -80.16 143.58 56.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.7 Cg_endo -74.92 -171.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 161.94 28.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -109.53 111.41 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.0 m -89.58 125.86 35.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 136.33 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -133.8 114.25 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.45 -94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -127.3 43.63 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -149.3 162.49 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -147.44 147.99 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -151.3 143.81 24.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 19.7 m -116.04 121.79 43.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.52 -175.81 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 29' ' ' PRO . 5.2 m -113.42 123.96 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.04 142.48 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.578 ' CE2' HD21 ' A' ' 27' ' ' LEU . 30.1 m-85 -101.0 172.52 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 52' ' ' GLN . . . 178.01 73.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -179.72 155.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.56 48.33 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.53 -104.13 0.17 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' N ' ' OE1' ' A' ' 46' ' ' GLU . 5.3 m-80 -151.35 105.25 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.12 168.09 41.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 71.5 t80 -98.17 149.16 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HA3' ' A' ' 45' ' ' GLY . 2.8 tp60 -150.58 155.6 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 152.88 43.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.21 27.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m -64.75 127.76 32.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.22 -5.38 61.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -113.87 177.32 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.998 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -147.61 -179.99 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.03 122.81 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.74 156.68 46.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 42.4 t -43.74 140.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 108.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' CZ ' ' HG3' ' A' ' 22' ' ' GLU . 0.9 OUTLIER -89.45 -146.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 84.6 t80 -178.15 106.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -140.65 166.56 24.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.88 99.62 11.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.19 161.15 13.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -99.08 144.32 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -13.56 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.14 -25.06 7.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 70.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 177.45 -93.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -178.06 132.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -45.17 124.69 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.242 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.27 163.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 1.3 p -74.09 133.67 42.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.88 157.54 45.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 109.24 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 t -107.6 108.32 19.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -128.46 158.29 38.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 18.8 m-70 -93.18 170.45 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.465 ' HG3' ' CZ ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.28 -31.72 71.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.88 3.66 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.927 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -124.12 152.87 42.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 129.45 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.3 p -106.46 176.27 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 108.252 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD23 ' CE1' ' A' ' 44' ' ' TYR . 3.6 tp -68.9 76.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -74.0 149.5 87.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 -169.46 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 51' ' ' PHE . . . -148.36 140.1 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.402 ' O ' ' SG ' ' A' ' 60' ' ' CYS . 5.1 m-20 -89.23 107.0 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.05 121.56 32.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 8.5 m -104.55 143.96 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -150.61 126.84 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.31 -99.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -127.83 51.41 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -157.79 156.32 31.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -149.65 146.51 27.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 41' ' ' LEU . 2.3 pp -151.93 150.29 29.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -114.07 114.06 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 39' ' ' LEU . 4.8 mt -142.79 -175.22 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 73.6 m -111.32 124.45 52.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 31.8 t -155.85 90.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 42' ' ' CYS . 1.2 m-85 -105.68 165.91 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.76 143.08 13.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -53.08 150.72 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.293 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.84 79.95 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.56 109.7 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -88.52 72.24 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . -163.24 139.88 6.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 13.2 t80 -36.62 151.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -133.56 108.84 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.42 135.86 46.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -75.01 176.39 9.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -61.3 131.02 49.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.32 -1.43 73.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.9 m-85 -123.23 153.89 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 6.9 ptp180 -147.74 123.21 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -36.79 140.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.372 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 31' ' ' ASP . 34.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 2' ' ' ARG . 62.3 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER 57.7 158.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 3.0 p 164.13 168.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -108.08 95.83 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 98.9 m-85 -52.13 132.65 33.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -142.84 163.49 32.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -96.7 116.59 29.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.9 m -126.33 165.26 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' CB ' HD21 ' A' ' 27' ' ' LEU . 4.1 m -85.06 159.12 20.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.427 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -100.14 42.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.01 -23.93 21.14 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.85 -133.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -92.6 -32.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.23 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HG3' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -50.3 101.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.69 129.92 34.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.12 154.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 133.83 33.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.29 163.83 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 4.2 t -116.57 97.68 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mp -116.81 156.72 26.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 3' ' ' CYS . 2.9 m170 -90.49 173.6 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.46 -32.3 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.45 2.9 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -124.5 157.2 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.66 137.91 21.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -111.29 173.09 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD11 ' CE1' ' A' ' 44' ' ' TYR . 4.5 tp -58.86 84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.491 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 79.0 t -78.06 143.52 65.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.491 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.93 165.73 29.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 17.4 m-20 -108.12 125.56 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 0.714 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 m -106.93 117.3 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.2 131.94 46.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tmm_? -133.13 126.95 32.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.444 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 39.38 -94.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ARG . 15.5 pttp -127.49 54.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -158.56 159.14 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 6.7 tmm_? -134.96 150.53 50.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 3.6 mm? -141.59 162.1 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 2.5 m -143.38 103.78 4.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -151.09 -172.41 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.5 m -108.52 132.26 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.5 t -161.51 99.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 27' ' ' LEU . 6.4 m-85 -103.26 177.04 4.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.82 -131.89 2.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 3.3 pm0 -123.04 130.59 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.33 -67.55 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.64 -75.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -150.05 102.89 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.816 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.25 165.93 36.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.406 1.066 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 2.1 t80 -83.17 160.23 21.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.764 . . . . 0.0 111.068 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' SER . 5.1 tm0? -143.47 71.43 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -45.58 153.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -63.85 129.33 39.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 110.418 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -11.26 67.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.578 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 63.4 m-85 -107.13 166.37 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -150.76 124.13 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -39.32 127.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mtm-85 -147.25 155.57 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t 65.84 135.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -95.32 77.67 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.559 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 93.7 m-85 -50.73 117.51 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -131.65 162.73 29.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.408 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.06 118.87 29.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.6 m -130.36 166.81 19.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.2 m -102.1 148.19 25.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.308 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.6 -6.49 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.17 -32.92 4.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -151.73 88.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 169.01 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.6 123.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -37.04 119.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.507 ' CG1' ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -130.2 -169.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.507 ' N ' ' CG1' ' A' ' 16' ' ' VAL . 22.2 p -88.46 153.71 20.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.24 152.81 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 6.1 t -114.0 93.23 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' CD2' ' HG3' ' A' ' 24' ' ' GLU . 6.2 mp -128.48 160.5 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -90.98 -177.97 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.45 -30.07 70.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -79.55 -78.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.5 tp10 -38.36 151.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.407 ' N ' HD23 ' A' ' 20' ' ' LEU . 1.3 m -140.61 164.86 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.59 170.86 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.345 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.576 HD23 ' CE2' ' A' ' 44' ' ' TYR . 6.4 tp -69.1 91.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.483 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -65.97 143.4 98.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.483 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.88 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.448 1.762 . . . . 0.0 111.074 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.566 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.64 140.7 8.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.17 118.83 37.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -99.99 115.54 29.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.253 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.29 122.61 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.167 . . . . 0.0 108.306 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LYS . 5.8 ttp180 -114.55 108.44 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.49 -86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.88 38.6 3.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -143.99 165.26 28.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 41.9 ttp180 -134.21 150.87 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 20.4 mt -146.15 103.93 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.1 m -93.39 110.22 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.48 172.05 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -89.06 115.24 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.33 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.558 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 16.5 t -159.04 95.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.576 ' CE2' HD23 ' A' ' 27' ' ' LEU . 1.4 m-85 -89.88 163.41 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.38 -24.85 1.09 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.71 9.05 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.28 -105.62 0.66 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 47.25 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -146.44 55.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.13 -106.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.566 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 15.5 t80 -112.19 152.68 28.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.35 125.13 9.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.27 153.89 76.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 108.27 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.56 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.97 175.85 10.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 m -62.72 134.04 55.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.79 -4.73 84.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.56 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 47.1 m-85 -116.45 149.73 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLN . 14.1 ptm180 -145.42 125.4 13.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -37.59 127.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -87.87 164.52 15.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.577 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 80.32 157.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.6 OUTLIER -116.22 93.89 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.43 123.23 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 9.0 m -135.56 168.75 18.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.495 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -106.55 133.79 50.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.0 m -133.99 164.71 26.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 108.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.54 147.48 29.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 108.257 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -13.75 38.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.03 -25.38 6.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 71.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 173.35 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.05 153.89 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.32 119.37 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -120.82 176.44 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -107.48 149.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.67 164.3 36.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 t -89.77 87.09 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 ' CD2' ' SG ' ' A' ' 26' ' ' CYS . 1.0 OUTLIER -92.96 172.81 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 51.3 m80 -132.26 -177.23 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -51.75 -36.52 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.46 12.22 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.508 ' HB2' ' CG ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -33.77 142.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.3 p -151.79 91.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 6.2 p -145.66 -178.11 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.4 tp -91.71 86.71 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.503 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -75.93 150.23 83.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.08 -173.0 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.604 1.844 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' CA ' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.71 157.22 27.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 109.78 21.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.424 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 29.5 m -89.45 117.83 28.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.09 119.6 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.34 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.414 ' NH2' ' HA3' ' A' ' 56' ' ' GLY . 7.1 ttm180 -113.06 88.92 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.42 -78.83 0.12 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.33 24.2 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -134.59 104.59 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -94.51 144.45 25.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.24 129.25 16.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.2 m -106.37 114.07 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.65 175.01 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.1 m -99.3 115.4 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.262 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.7 p -157.55 94.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -106.42 174.55 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . 166.45 -152.6 21.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -37.35 133.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 0.775 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.55 108.39 1.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.29 46.23 3.6 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -103.13 27.48 7.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 -85.23 1.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -95.19 163.9 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 46' ' ' GLU . 38.7 tp60 -146.6 73.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -53.76 129.5 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.247 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -176.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.96 134.69 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.414 ' HA3' ' NH2' ' A' ' 34' ' ' ARG . . . 87.85 -3.68 85.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.424 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 41.7 m-85 -122.37 147.57 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -145.02 123.12 12.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.0 mt-30 -37.12 126.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 143.12 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -179.53 161.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -101.32 66.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 82.8 m-85 -36.91 118.53 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' CG2' HD21 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -142.52 172.47 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.7 mp -90.17 122.38 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.0 m -139.01 170.58 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -100.85 128.19 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 108.331 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -10.83 43.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.81 10.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -148.98 87.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 7.1 tp 153.85 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 96.84 135.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' CB ' ' SG ' ' A' ' 42' ' ' CYS . . . -37.56 117.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -145.0 -176.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.425 ' N ' HG12 ' A' ' 16' ' ' VAL . 14.4 m -79.26 144.59 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 158.69 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 46.3 t -109.29 91.68 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -113.69 166.9 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.417 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 2.7 m170 -106.16 170.98 7.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -30.16 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 1.54 21.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 1.8 tp10 -129.12 152.7 48.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 164.7 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 p -137.42 178.88 6.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 44' ' ' TYR . 7.3 tp -93.4 98.02 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.501 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 57.0 t -69.13 144.16 94.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.589 1.836 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.571 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.69 153.21 25.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.19 109.53 20.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 5.2 m -88.98 120.61 30.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -107.83 137.08 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.253 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.61 127.44 18.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.02 -97.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -130.82 47.89 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -153.32 156.45 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.9 ttp180 -143.39 150.37 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD2' HD21 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -150.5 133.54 16.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.9 m -111.63 112.41 24.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.407 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 HD21 ' CD2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.16 171.21 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' SG ' ' CB ' ' A' ' 15' ' ' ALA . 4.0 m -89.49 118.91 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.9 m -153.71 109.14 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.65 ' N ' ' CD1' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -89.62 161.55 16.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -114.74 -96.78 2.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 1.5 pt-20 -38.42 154.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.79 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.98 50.87 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.598 1.187 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.41 -83.52 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 13.9 t30 -142.3 -154.89 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.65 158.84 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.571 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 23.5 t80 -113.11 149.58 33.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.462 ' NE2' ' H ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -140.35 -177.3 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.462 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 1.3 m -122.13 139.48 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.223 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.479 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.98 175.77 10.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -61.14 130.92 48.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.41 -1.56 79.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.0 m-85 -123.25 155.63 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -148.37 120.53 8.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 5.9 tt0 -36.95 137.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -110.06 155.73 21.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 173.94 150.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.327 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -103.27 89.45 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.201 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -51.88 113.94 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -125.88 163.09 23.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.17 109.24 20.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 m -105.54 158.64 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.04 155.15 19.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -15.19 34.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.471 ' HA2' ' CD2' ' A' ' 27' ' ' LEU . . . 86.07 -26.55 6.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.98 60.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 179.92 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmmt -150.68 -176.66 5.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.45 117.15 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.3 p -116.93 173.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 p -87.65 149.98 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.03 158.6 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.21 91.63 3.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.323 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 158.24 26.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 33.9 m-70 -98.48 173.95 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -66.31 -31.36 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.05 2.37 20.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -125.66 146.6 49.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 146.94 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.935 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -127.81 178.37 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.6 tp -64.93 75.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 26' ' ' CYS . 2.9 p -65.57 142.09 98.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.01 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.09 156.85 27.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.505 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.5 m-20 -106.54 125.2 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 16.0 m -102.73 122.25 44.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 0.7 OUTLIER -96.37 132.1 42.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 6.2 ttm180 -131.21 89.07 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.24 -83.01 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.396 1.06 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -137.09 22.16 3.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -128.58 118.79 23.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -97.0 147.65 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.505 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 0.5 OUTLIER -140.23 159.61 41.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 7.6 m -138.27 114.53 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.45 -172.29 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -110.46 122.16 47.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 108.209 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -160.71 115.36 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 44.3 m-85 -116.06 179.34 4.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.58 -148.86 5.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.36 9.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.3 59.55 2.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.38 -70.93 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -106.28 36.09 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.77 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.39 -75.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -85.77 161.16 19.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.13 66.44 1.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.2 m -50.59 151.53 4.0 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.564 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.02 167.95 25.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.2 m -63.54 126.2 26.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.84 -5.74 53.98 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 43.3 m-85 -114.3 176.71 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -147.12 -175.02 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.36 124.47 35.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' O ' ' CD2' ' A' ' 21' ' ' HIS . 2.1 mtm180 -81.83 156.31 24.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -144.73 161.98 37.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.6 mtm-85 -103.86 77.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.41 ' CD1' ' O ' ' A' ' 5' ' ' TYR . 5.9 p90 -46.61 117.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.0 m -130.66 166.39 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 112.54 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.1 m -111.56 163.08 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 m -103.17 132.89 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.322 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -105.21 21.7 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.62 26.98 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -127.49 -126.87 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -37.71 -65.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 177.6 176.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.4 119.44 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -121.62 155.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -73.08 151.4 41.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 153.58 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -99.37 86.33 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -112.36 166.17 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 69.2 m80 -118.45 -179.29 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.574 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -25.42 64.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -1.33 36.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -131.76 155.72 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 134.92 17.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.65 170.37 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.576 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 9.4 tp -63.49 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.494 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 76.2 t -68.46 143.41 95.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 -167.8 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -148.79 150.62 22.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.563 1.164 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.504 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.1 m-20 -107.15 121.99 45.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' CB ' ' CD2' ' A' ' 57' ' ' TYR . 5.0 m -97.28 116.64 29.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.6 m -114.31 141.26 47.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 108.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -153.31 114.79 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.34 -98.41 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 24.46 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 m -123.92 153.22 41.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 42.0 ttp180 -147.31 152.26 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 1.6 tp -150.49 160.89 43.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.51 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 35.2 m -139.87 110.09 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.85 -169.41 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.58 122.63 45.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 108.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -160.16 92.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.576 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -101.88 173.08 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.02 36.14 3.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 59.6 151.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.642 0.848 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.88 -49.7 4.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.95 72.87 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -135.6 -154.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.26 -158.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.404 1.065 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -95.88 162.78 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 111.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.46 70.49 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -48.07 135.99 11.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.01 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.413 1.744 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.55 123.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 99.37 -7.05 59.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CD2' ' CB ' ' A' ' 32' ' ' CYS . 5.5 m-30 -114.26 150.96 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.324 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 4.6 pt20 -35.39 136.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.047 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -93.69 163.94 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 1.0 OUTLIER 162.85 147.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -102.42 69.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.569 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 92.3 m-85 -46.17 117.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.485 ' CG2' HD22 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -143.57 173.7 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.1 mt -98.51 119.82 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.34 161.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -100.78 132.73 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 12' ' ' ALA . 69.1 m-20 -118.93 32.21 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.06 27.01 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 10' ' ' ASP . . . -103.13 -129.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.07 -37.11 86.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.561 ' HB2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 172.03 -169.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 116.23 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.24 146.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 150.87 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.64 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 5' ' ' TYR . 5.5 t -113.11 95.98 5.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.5 ' CD1' ' O ' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -126.67 167.38 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m170 -113.18 -179.84 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -26.02 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -0.99 33.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.939 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -130.53 157.62 42.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 159.62 41.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.432 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 1.1 p -138.37 176.75 8.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.89 85.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.492 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 2.6 p -69.79 143.21 91.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.6 Cg_endo -74.92 -172.59 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.46 152.82 24.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -107.0 110.25 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.787 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 39' ' ' LEU . 16.3 m -89.17 121.02 31.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 108.277 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 129.22 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.1 ttp180 -127.6 101.34 6.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.12 -81.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.573 1.171 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -140.6 24.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -132.32 112.66 12.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -103.31 145.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.234 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 1.4 pt? -150.25 137.98 19.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -107.93 119.04 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.44 169.2 22.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 m -90.13 120.43 31.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 108.275 -179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -154.74 126.44 7.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.997 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.51 165.49 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.09 125.22 0.75 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -82.72 139.18 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.83 -47.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.35 -86.94 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -144.15 73.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.76 -60.15 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 43' ' ' SER . 2.4 t80 -86.83 149.17 25.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 0.724 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.3 tt0 -143.63 -176.86 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.74 145.55 34.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.244 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.0 178.05 7.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 t -61.6 135.7 57.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.09 -4.77 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.475 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 42.9 m-85 -119.37 153.57 34.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.7 tmt_? -147.49 122.36 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.4 mt-30 -37.56 130.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -122.31 156.0 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.618 ' CB ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 63.22 158.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 6' ' ' THR . 14.9 mtm180 -118.89 99.72 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -46.15 116.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.4 m -128.56 166.1 19.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -108.94 117.83 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 m -118.9 157.61 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 m -75.57 149.78 38.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LYS . 9.9 m-20 -94.36 29.36 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.22 3.11 44.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.16 45.92 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.54 ' CD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 71.09 -54.48 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.54 ' N ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.46 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.72 122.98 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.5 144.44 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 p -84.82 135.27 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.973 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.32 157.85 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -93.64 82.38 4.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.168 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -102.79 157.4 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 3' ' ' CYS . 63.8 m80 -106.28 -179.67 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.544 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.22 1.75 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.94 156.36 39.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.3 p -148.27 147.45 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -136.03 172.47 12.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.641 ' CD1' ' CE1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -66.91 93.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.495 ' CG1' ' HD2' ' A' ' 29' ' ' PRO . 69.5 t -81.51 143.87 52.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.226 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.495 ' HD2' ' CG1' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 -169.6 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.598 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 150.26 22.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -114.42 102.57 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.48 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 3.2 m -89.43 121.57 31.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 3.4 p -120.76 148.53 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.38 120.62 4.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.01 -88.18 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.2 26.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -131.12 121.3 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 9.3 ptm180 -122.66 148.12 45.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 tp -150.69 132.92 15.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.443 ' CG2' ' CG ' ' A' ' 31' ' ' ASP . 10.0 m -115.0 112.69 23.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -152.02 171.63 17.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.404 ' N ' HD11 ' A' ' 41' ' ' LEU . 32.5 m -94.3 124.58 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 108.235 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 t -160.13 109.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.641 ' CE1' ' CD1' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -95.3 164.29 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.68 172.72 20.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' GLY . 2.4 mm-40 63.1 8.21 3.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.09 45.7 0.89 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.73 -107.11 3.05 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.24 45.43 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 0.813 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.8 22.88 1.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.598 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 5.3 t80 -137.49 152.44 49.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' SER . 4.0 tp60 -148.44 90.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 60.4 m -60.5 147.25 83.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.36 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.0 167.83 26.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -63.43 130.93 46.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 92.24 -1.27 73.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.48 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 43.6 m-85 -124.8 147.07 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 0.803 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.3 ptp180 -145.92 129.28 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -37.34 131.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 108.356 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' CYS . 4.0 mmm180 -129.33 164.05 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -41.54 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -107.12 88.76 2.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -49.23 115.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -120.82 162.74 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.26 101.43 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.5 m -111.31 164.52 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -90.38 155.88 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.358 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.454 ' OD2' ' CD2' ' A' ' 13' ' ' LEU . 7.7 m-20 -89.25 -11.71 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -35.77 4.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.85 67.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' CD2' ' OD2' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -178.9 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -178.37 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.64 117.66 30.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -117.97 178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.27 116.39 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.026 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.97 151.03 25.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -99.06 84.4 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.51 ' CD2' ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -117.41 158.64 24.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -95.14 175.01 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.03 -31.18 71.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.38 3.44 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.7 tp10 -122.94 154.8 37.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.04 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.61 169.5 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.259 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.34 93.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.359 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 29' ' ' PRO . 1.2 t -78.85 150.56 75.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' N ' HG11 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.12 147.0 17.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -108.19 104.6 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 1.3 m -89.85 124.76 34.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.69 143.61 31.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.36 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -141.45 103.37 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.401 1.063 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -85.79 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -141.09 24.09 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -132.88 123.73 26.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 110.055 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.8 ttp180 -105.95 152.68 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.23 125.95 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.471 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 7.2 m -109.6 120.42 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 39' ' ' LEU . 30.8 mt -150.96 -179.84 7.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 m -109.49 119.36 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.353 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -160.8 141.48 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -100.5 175.63 5.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 52' ' ' GLN . . . -115.89 64.51 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.58 10.31 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.06 73.76 1.1 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.37 -64.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.18 39.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.25 -107.21 0.27 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 86.4 t80 -83.15 149.48 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -141.83 -157.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.77 171.85 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.409 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.06 172.33 16.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.477 1.778 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 m -62.72 126.23 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.41 -10.06 46.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.49 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 3.4 m-85 -107.77 117.49 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -132.03 124.74 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.8 tt0 -33.7 137.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -47.76 169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.564 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -41.58 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' TYR . 44.3 ttp180 -95.66 73.19 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.0 m-85 -36.26 122.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -139.16 172.87 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.4 mm? -95.08 117.75 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.3 m -121.46 161.98 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.273 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.7 m -105.06 146.74 28.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.335 179.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.45 -7.28 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.25 -32.6 4.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.39 84.3 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.582 0.813 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.33 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER -177.1 122.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.09 117.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 p -129.02 173.03 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 m -72.17 151.8 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.25 157.8 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -111.09 92.96 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -128.33 158.3 38.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.637 1.211 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 68.7 m80 -104.14 -179.65 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -26.87 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.76 1.48 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.12 151.5 48.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -136.84 127.54 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.9 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.264 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -78.12 95.81 5.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -82.67 143.9 47.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.04 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -147.99 146.31 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 0.0 111.065 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 0.7 OUTLIER -106.77 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 5.1 m -92.2 124.41 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 38' ' ' ARG . 30.1 p -118.01 146.99 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.439 ' CB ' ' HA ' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -158.96 127.81 5.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.11 -90.19 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 27.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 p -140.46 138.0 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 32.1 ttp180 -141.32 151.64 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD13 ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -151.3 150.19 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -117.17 126.84 53.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 39' ' ' LEU . 85.9 mt -150.69 -176.43 5.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.23 116.43 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 6.7 m -159.92 135.77 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -98.13 174.53 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.46 160.19 29.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 61.37 9.82 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.42 80.4 1.28 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.13 50.32 6.35 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.49 29.59 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.4 -145.12 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 87.4 t80 -115.07 149.02 38.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -120.06 -171.44 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.7 m -143.13 144.57 29.23 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.99 166.06 30.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -62.4 128.47 36.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.3 0.79 58.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 46.5 m-85 -126.21 159.36 33.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -145.7 118.47 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -36.83 128.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.341 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -147.88 158.05 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.548 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 68.82 154.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 108.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -114.47 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -43.99 123.06 3.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 1.9 m -128.38 163.26 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.0 mt -90.73 114.14 26.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.3 m -108.75 156.93 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.39 159.96 14.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -89.7 15.28 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.54 -12.75 44.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.39 -131.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -89.8 -24.61 21.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' N ' ' CD1' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.54 163.69 15.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.27 129.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.8 p -138.86 175.25 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.1 t -92.9 155.9 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.17 162.03 40.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.47 93.78 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 HD22 ' CG ' ' A' ' 24' ' ' GLU . 5.7 mp -120.53 158.82 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.548 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 55.0 m80 -98.03 -179.84 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.65 0.75 28.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' CG ' HD22 ' A' ' 20' ' ' LEU . 3.8 tp10 -127.87 153.99 46.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.26 133.26 16.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -111.11 177.99 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.363 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -65.78 73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 26' ' ' CYS . 4.4 p -62.17 141.79 95.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.596 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.07 149.53 21.54 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.115 . . . . 0.0 111.076 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -108.95 115.24 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 m -89.71 114.17 25.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -114.76 141.47 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -152.47 125.9 8.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.13 -98.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -123.49 51.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 t -153.88 153.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 6.7 tmm_? -150.25 150.07 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.477 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 10.3 tp -151.12 162.46 40.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.511 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 38.9 m -138.3 113.84 9.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.43 -173.78 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -106.95 117.68 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.615 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 13.9 m -160.32 115.86 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.5 m-85 -112.67 179.44 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.04 52.35 3.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 59.84 10.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.24 -104.1 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.39 54.84 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -118.18 84.89 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.41 -110.68 0.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 43' ' ' SER . 1.5 t80 -135.5 160.81 37.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -129.72 64.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -49.42 137.62 16.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.4 6.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.23 132.93 55.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 82.86 6.11 88.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 32.6 m-85 -131.68 144.14 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -143.53 123.35 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -36.24 141.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -112.51 96.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -48.2 109.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.2 m -112.41 164.29 13.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.44 108.45 20.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -127.98 165.73 19.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.833 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 11.5 m -103.44 149.53 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.07 -11.14 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -27.94 6.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 13' ' ' LEU . . . -150.77 79.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER 173.19 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 174.59 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.833 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -50.09 125.96 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG22 ' H ' ' A' ' 17' ' ' SER . 1.4 p -143.8 -175.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -98.5 132.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.18 158.81 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.67 85.11 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.726 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -118.43 156.73 28.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.42 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 26.9 m-70 -95.7 172.08 8.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -30.77 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 2.92 17.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.566 ' O ' HD11 ' A' ' 20' ' ' LEU . 1.3 tt0 -124.26 150.37 45.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.2 p -126.71 170.17 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.726 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -153.2 170.7 19.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -67.12 93.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.707 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.3 t -70.64 143.51 89.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.08 -172.37 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.77 142.93 10.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -102.73 110.26 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.7 m -89.25 126.02 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.19 132.27 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 5.3 ttm180 -127.78 91.07 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.69 -81.73 0.16 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -139.47 23.19 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 m -130.61 118.02 20.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.97 148.59 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 13.4 tp -147.6 144.61 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -118.8 118.12 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.35 174.86 10.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.07 116.68 32.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 5.1 m -160.5 128.28 4.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.602 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -90.44 167.01 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 12.6 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.484 0.183 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.61 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -128.93 177.77 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.1 m -119.67 156.34 53.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 167.38 27.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.5 m -63.82 129.06 38.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.68 -5.12 64.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 36.0 m-85 -115.81 174.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -144.62 -177.94 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.97 133.77 34.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB3' ' NE2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -112.31 85.35 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.84 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.08 161.11 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.628 1.205 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 16' ' ' VAL . 3.1 mm? -94.14 124.38 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 26.1 m -116.14 158.85 22.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.306 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -110.21 142.51 41.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.51 -7.11 55.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.12 -32.99 4.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -151.77 81.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 176.34 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.4 121.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -40.38 122.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.455 ' C ' HD13 ' A' ' 7' ' ' LEU . 7.2 p -122.21 148.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' HD13 ' A' ' 7' ' ' LEU . 6.0 p -68.89 151.51 46.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.13 147.94 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t -94.61 82.01 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.812 HD22 ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp -109.83 156.7 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 3' ' ' CYS . 63.2 m80 -105.9 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.39 -27.52 67.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.31 0.42 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -129.14 151.06 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -150.22 136.13 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.812 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -123.18 173.72 7.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 108.262 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 44' ' ' TYR . 6.7 tp -64.81 77.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.626 HG22 ' HD2' ' A' ' 29' ' ' PRO . 3.1 p -65.67 142.56 98.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.626 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.05 -168.09 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.416 1.745 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.02 146.75 16.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -106.3 104.4 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 11.3 m -87.94 112.29 22.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.75 143.81 46.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.246 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.2 127.63 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.75 -88.86 0.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.598 1.186 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.42 29.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.2 m -135.2 122.03 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -120.01 147.9 44.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.847 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.95 132.01 14.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -111.28 110.65 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.847 HD23 HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.68 177.75 10.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' H ' HD12 ' A' ' 41' ' ' LEU . 1.6 m -89.15 116.64 27.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -147.06 100.25 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.034 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 1.3 m-85 -97.01 163.1 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 45.7 t80 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.528 0.204 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 150.48 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 20.7 m -115.49 123.61 31.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 108.271 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -60.94 135.16 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.43 0.91 86.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 35.9 m-85 -127.18 144.94 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 0.803 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.7 mtp180 -139.75 109.51 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -35.14 125.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -112.9 91.92 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.8 p90 -36.08 98.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -107.8 148.31 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.6 120.57 24.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -134.61 169.04 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.849 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.8 m -110.11 143.87 39.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.355 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.12 -13.23 38.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.84 -24.28 7.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 74.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.56 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.5 117.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -36.46 125.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 17' ' ' SER . 4.9 p -145.17 178.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.689 ' H ' HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -87.56 136.21 33.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.028 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.96 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.36 78.77 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.47 157.65 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 39.2 m-70 -97.46 174.36 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.06 3.26 17.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.178 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.34 151.34 42.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 139.96 38.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.75 171.84 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.528 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -72.48 90.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.8 t -63.34 143.62 97.72 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.1 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.03 146.52 16.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -104.6 126.76 51.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 70.7 m -101.63 124.0 46.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 108.276 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 131.5 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.683 ' CZ ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 ttm180 -132.2 92.22 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.51 -84.98 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.96 23.4 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -128.34 122.49 31.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.763 ' O ' HD22 ' A' ' 39' ' ' LEU . 1.9 ptm180 -96.96 147.12 24.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.763 HD22 ' O ' ' A' ' 38' ' ' ARG . 4.1 mm? -137.55 161.97 34.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.951 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.9 m -142.6 115.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.36 177.99 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.7 118.93 37.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 108.288 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -157.08 104.33 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -98.2 160.23 14.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.094 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 92.3 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.469 0.176 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.596 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -119.58 -169.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 1.7 m -152.61 155.18 32.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 167.52 26.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 127.02 29.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.02 -5.56 59.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CE1' ' CZ ' ' A' ' 34' ' ' ARG . 38.6 m-85 -112.4 168.73 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 0.732 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 mmp_? -136.59 -167.1 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -98.58 123.09 42.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.77 79.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 5' ' ' TYR . 7.3 p90 -48.92 116.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.3 m -127.09 164.28 21.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.443 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.4 114.09 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.5 m -123.1 167.54 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.26 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.6 m -101.1 147.95 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -15.1 34.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.79 -25.24 6.8 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.416 1.072 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.78 72.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 175.02 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 177.7 133.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.32 129.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 17' ' ' SER . 2.0 p -143.45 -172.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.709 ' H ' HG22 ' A' ' 16' ' ' VAL . 16.1 m -92.2 146.76 23.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.959 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 5' ' ' TYR . . . -140.93 147.75 39.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.26 89.5 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.867 HD22 ' SG ' ' A' ' 26' ' ' CYS . 4.4 mp -121.02 153.96 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -91.96 175.46 6.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.593 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -31.27 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.26 2.89 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.073 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -125.46 154.32 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -150.13 138.2 20.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 110.042 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.867 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -118.6 167.81 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.651 ' CD2' ' CZ ' ' A' ' 44' ' ' TYR . 10.5 tp -60.46 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.592 HG23 ' HD2' ' A' ' 29' ' ' PRO . 6.2 p -72.93 141.87 82.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.592 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.06 -171.12 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.83 138.87 7.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -97.07 108.64 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . 55.1 m -90.44 119.98 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -110.13 141.69 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 108.242 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 56' ' ' GLY . 4.8 tpm_? -150.98 121.9 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -87.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -145.01 27.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -135.88 120.27 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.99 146.79 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.975 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.65 150.83 31.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -113.66 118.88 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.975 HD23 HD21 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.32 170.9 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.59 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 m -90.14 119.84 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -149.42 88.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.651 ' CZ ' ' CD2' ' A' ' 27' ' ' LEU . 1.1 m-85 -89.79 163.83 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 32.7 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.5 0.19 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -148.67 116.69 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 2.6 m -78.17 135.57 62.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.1 Cg_endo -75.1 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -61.49 127.11 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.504 ' O ' ' CD ' ' A' ' 34' ' ' ARG . . . 100.17 -1.17 56.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 38.6 m-85 -121.62 158.86 27.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -140.53 101.01 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 pt20 -37.62 126.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.411 ' O ' ' OG1' ' A' ' 6' ' ' THR . 2.1 tpm_? -109.19 80.79 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 19.2 p90 -44.2 122.99 3.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 3.9 m -133.14 166.12 23.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.29 129.87 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 70.9 m -140.78 165.04 28.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.3 160.31 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -87.58 -16.09 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -38.29 3.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . -152.9 72.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 6.6 tp -178.86 -99.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 13' ' ' LEU . 20.2 mmtt -145.09 -179.0 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.182 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.84 120.42 40.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -122.99 174.08 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 16' ' ' VAL . 33.8 t -93.18 152.29 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.067 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 5' ' ' TYR . . . -147.91 158.71 44.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 6.7 t -109.47 91.32 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.12 155.47 29.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.26 177.64 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.65 -30.32 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.32 1.99 23.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -127.05 153.26 46.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.47 137.86 19.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -113.03 170.58 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.8 HD21 ' CE2' ' A' ' 44' ' ' TYR . 7.0 tp -60.84 87.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.79 HG13 ' HD2' ' A' ' 29' ' ' PRO . 54.4 t -77.15 144.6 71.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.79 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.582 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.12 156.97 27.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.539 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -102.57 117.85 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.2 m -92.07 118.6 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.72 130.63 36.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' LYS . 10.2 ttp180 -131.29 102.33 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.04 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 17.8 ptmt -130.93 45.55 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -156.52 122.67 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -98.26 147.11 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 1.1 tt -139.16 162.01 36.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -134.97 114.03 12.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.92 169.34 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 41' ' ' LEU . 64.0 m -100.22 127.19 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.81 105.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.077 . . . . 0.0 110.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.8 ' CE2' HD21 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -103.31 159.3 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.582 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 38.7 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.551 0.215 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -140.77 150.87 43.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.6 150.43 45.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.05 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -62.4 132.13 51.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.366 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.68 -6.52 82.06 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 52.6 m-85 -115.87 157.05 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.3 mpp_? -150.47 125.35 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -35.78 140.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 108.348 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.2 ttp180 -112.34 96.01 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.98 115.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.3 m -122.14 164.76 17.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.6 107.78 18.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.4 162.64 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.76 152.59 22.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 108.358 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -105.56 7.56 32.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -24.69 6.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -89.74 44.72 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 mm? 31.9 54.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.12 78.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.7 137.8 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.54 164.46 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -88.34 130.89 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.94 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.87 83.33 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -113.53 158.82 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.27 172.03 8.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -32.23 73.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.04 2.68 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HB3' HD23 ' A' ' 20' ' ' LEU . 12.6 tt0 -123.06 147.0 47.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.25 151.16 51.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.54 170.47 14.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.783 HD21 ' CE1' ' A' ' 44' ' ' TYR . 3.5 tt -60.28 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -80.99 148.07 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.39 142.06 9.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.95 100.39 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.9 m -89.18 118.82 29.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 139.12 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 108.347 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 35' ' ' GLY . 2.5 tmm_? -137.96 126.26 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 50.48 -93.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -132.5 48.46 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -151.42 154.89 37.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 37.6 ttp180 -132.94 151.79 52.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 53.1 tp -150.03 110.56 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 m -101.47 102.02 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.86 169.4 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' LEU . 67.2 m -90.94 134.68 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 108.396 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.5 116.01 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.783 ' CE1' HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -92.54 161.67 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 66.1 t80 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.557 0.217 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -149.3 126.99 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.17 150.92 96.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.29 126.15 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.14 -2.09 65.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 58.9 m-85 -114.87 158.2 22.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -150.24 129.92 13.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -38.69 143.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 108.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.439 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.89 89.16 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 5.2 m-85 -43.78 112.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.4 m -116.06 164.0 15.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.32 107.86 19.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -120.82 165.85 14.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.26 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -99.8 155.66 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.36 -8.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.535 ' CA ' HD13 ' A' ' 27' ' ' LEU . . . 92.95 -35.1 4.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.025 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 13' ' ' LEU . . . -152.73 76.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.802 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.2 tp 177.6 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 109.228 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.87 145.24 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -63.22 138.67 58.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.33 166.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.9 OUTLIER -90.2 132.1 35.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.17 157.77 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 18.5 t -95.08 88.47 5.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -111.5 166.42 11.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.645 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.5 m-70 -108.3 171.73 7.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 109.657 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.2 -30.17 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 1.96 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -129.3 154.93 46.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.5 p -131.21 168.5 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.873 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -146.63 174.03 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 1.1 tt -62.71 79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 29' ' ' PRO . 69.0 t -76.4 143.2 72.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.522 1.801 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.8 144.62 12.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.31 106.96 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 31.9 m -89.9 118.61 29.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -112.98 143.35 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.66 125.04 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.11 -88.3 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.078 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -148.47 29.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m -139.02 121.27 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -124.24 146.05 48.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.947 HD11 ' CE1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -151.2 150.75 30.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.379 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.948 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -114.64 124.91 53.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.15 -174.22 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.5 m -114.48 117.45 31.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -160.62 103.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.8 m-85 -102.9 179.81 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.519 0.2 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -144.47 72.36 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 22.2 m -52.34 122.68 25.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.227 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.97 4.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.1 m -60.71 129.63 42.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 95.82 0.92 61.95 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CE1' HD11 ' A' ' 39' ' ' LEU . 38.3 m-85 -125.92 150.1 48.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -137.8 101.71 4.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 tt0 -35.48 124.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' TYR . 2.9 mtt85 -119.98 84.41 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' ARG . 3.8 p90 -36.49 105.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.1 152.25 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.82 107.43 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m -106.85 153.21 22.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.523 ' HB2' HD12 ' A' ' 27' ' ' LEU . 50.5 m -86.87 156.84 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.03 30.59 2.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -18.29 37.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -122.28 -135.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.93 -20.61 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HD22 ' A' ' 13' ' ' LEU . 27.1 mtmt -65.79 112.96 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.14 138.62 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 10.6 p -143.48 166.64 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -93.33 135.57 34.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.4 148.09 52.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -89.93 80.56 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.262 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.507 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -101.12 157.3 16.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 31.7 m-70 -102.03 176.8 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -28.73 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.9 2.53 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' O ' HD11 ' A' ' 20' ' ' LEU . 11.5 tp10 -125.12 154.15 41.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 p -145.17 135.31 23.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 109.951 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -121.5 175.1 6.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 44' ' ' TYR . 1.8 tm? -70.16 89.67 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.699 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.7 p -74.67 142.97 77.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.02 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.547 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.02 148.45 19.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.6 m-20 -106.07 110.83 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 m -89.12 123.04 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -104.43 134.82 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.316 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -130.2 103.28 6.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.56 -86.52 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -133.95 20.05 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 0.801 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -119.02 157.87 26.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.46 145.3 40.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -149.1 147.88 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.658 ' O ' HD23 ' A' ' 41' ' ' LEU . 34.3 m -117.52 124.2 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 39' ' ' LEU . 64.6 mt -150.13 178.27 9.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 12' ' ' ALA . 3.6 m -110.43 119.09 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.265 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -152.39 140.91 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE2' HD21 ' A' ' 27' ' ' LEU . 13.1 m-85 -110.01 172.79 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 71.2 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.48 0.181 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.587 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -126.33 -177.21 3.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.25 152.27 77.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.98 172.03 17.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -64.68 129.8 41.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HH21 ' A' ' 58' ' ' ARG . . . 91.01 -2.96 80.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 59.6 m-85 -115.0 160.44 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.485 HH21 ' C ' ' A' ' 56' ' ' GLY . 0.9 OUTLIER -150.76 125.17 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.5 tt0 -37.24 141.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.312 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.624 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -109.71 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 37.3 m-85 -36.27 97.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -102.84 143.64 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.431 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.12 100.37 10.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 m -102.77 155.31 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.303 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -101.98 133.69 46.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 12' ' ' ALA . 3.0 p-10 -90.15 3.47 53.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.4 23.45 0.81 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.0 47.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.405 0.709 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 157.04 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.712 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -166.86 -178.8 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -79.08 125.77 29.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.82 159.7 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -79.35 144.22 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.62 136.95 34.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 53.4 t -92.01 85.47 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 108.237 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.594 HD23 ' CG ' ' A' ' 24' ' ' GLU . 4.0 mp -116.27 158.57 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.624 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 88.5 m-70 -103.35 -179.11 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.563 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.2 -27.82 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.33 0.16 30.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.594 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.6 tp10 -127.19 153.19 46.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.97 138.65 20.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -124.9 173.23 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.832 HD21 ' CE1' ' A' ' 44' ' ' TYR . 11.6 tp -61.94 82.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.953 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -74.85 153.56 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.953 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 -172.33 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.42 154.81 25.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.549 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -104.41 124.36 49.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 52.4 m -103.71 117.39 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 128.66 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.814 HH21 ' HA3' ' A' ' 56' ' ' GLY . 6.5 ttm180 -127.74 89.71 2.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.5 -84.21 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.528 1.142 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 20.94 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -126.83 111.58 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.937 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.7 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.8 ptm180 -93.37 147.41 22.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.7 HD22 ' C ' ' A' ' 38' ' ' ARG . 3.4 mm? -138.2 161.13 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.952 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.6 m -144.19 107.2 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.952 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.88 -179.18 7.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.81 126.83 52.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -160.67 121.96 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CE1' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -89.91 161.55 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 6.2 t80 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.5 0.19 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 m -127.76 147.01 61.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.02 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.3 m -61.21 132.03 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.814 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 91.79 -4.44 78.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -120.6 151.72 39.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.51 119.89 11.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.7 pt20 -36.72 126.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 8.4 tpp180 -105.6 89.73 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -41.6 114.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' SER . 4.2 m -117.01 166.35 12.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.41 107.38 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 m -117.72 156.97 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.7 160.17 16.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.8 -7.18 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.74 -34.1 3.99 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -152.71 68.66 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -179.97 -96.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.42 -176.17 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.43 128.36 49.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.25 171.81 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.4 m -92.41 134.36 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.78 158.86 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.64 89.75 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.24 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.778 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -124.49 166.19 16.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 64.6 m80 -114.09 -179.49 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -26.02 64.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -0.77 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.0 tp10 -130.58 156.48 44.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -136.13 171.35 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.778 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -151.91 173.73 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.311 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.788 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -65.54 92.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 29' ' ' PRO . 75.1 t -78.61 143.38 63.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.05 -171.08 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.13 152.97 24.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.663 ' OD1' HG23 ' A' ' 40' ' ' THR . 0.3 OUTLIER -119.54 106.13 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.496 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 4.4 m -89.27 125.01 34.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 14.9 p -123.16 149.17 44.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 4.1 tpm_? -157.31 126.25 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.2 -92.13 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.59 24.28 2.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.2 m -128.21 153.38 46.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 32.5 ttp180 -150.14 150.67 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -151.45 141.25 21.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.663 HG23 ' OD1' ' A' ' 31' ' ' ASP . 20.1 m -120.37 125.32 47.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.59 -169.9 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.0 m -122.42 113.46 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 m -161.48 130.22 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CE1' HD11 ' A' ' 27' ' ' LEU . 9.8 m-85 -131.18 -178.51 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.2 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.533 0.206 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -113.15 92.46 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.62 135.06 43.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.67 24.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -61.87 128.89 38.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 94.94 1.57 63.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.496 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 34.1 m-85 -128.87 144.37 51.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 110.964 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 15.3 ptm180 -142.8 128.35 19.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ARG . 14.0 pt20 -37.18 132.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 4.1 mtt180 -111.86 95.82 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -47.77 107.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.5 m -108.51 164.99 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.4 107.97 20.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.25 155.94 20.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.85 159.05 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.94 15.03 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.673 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . 83.8 -14.95 39.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.584 1.178 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.08 -131.48 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 0.721 . . . . 0.0 109.231 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.26 -25.6 21.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.231 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.947 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.41 155.36 29.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.54 131.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.671 HG22 ' H ' ' A' ' 17' ' ' SER . 1.7 p -148.8 -174.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.671 ' H ' HG22 ' A' ' 16' ' ' VAL . 1.3 m -101.66 134.8 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.06 28.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.0 t -94.09 86.2 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.565 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -115.96 157.18 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 m80 -103.81 178.59 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -27.89 65.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.95 2.12 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.48 155.66 40.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.75 124.94 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.565 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.3 p -109.05 178.32 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.386 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD23 ' HA2' ' A' ' 11' ' ' GLY . 7.9 tp -72.96 80.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.765 HG13 ' HD2' ' A' ' 29' ' ' PRO . 53.5 t -67.88 144.26 97.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.765 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.94 -168.28 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.71 152.16 24.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 6.8 m-20 -105.72 124.42 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.84 116.19 32.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.99 123.83 37.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.57 HH21 ' HA3' ' A' ' 56' ' ' GLY . 7.4 ttm180 -120.31 89.06 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.52 -84.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.91 26.47 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -136.2 105.46 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.37 149.17 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.573 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 2.0 mt -140.53 162.65 34.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -140.9 107.87 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.76 172.95 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.7 m -88.96 115.09 26.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -160.32 95.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 7.7 m-85 -103.79 168.45 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.5 t80 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.463 0.173 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -150.52 75.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -47.6 151.48 1.46 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -60.52 134.27 56.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.57 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 85.82 -2.22 87.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 44.1 m-85 -123.59 153.2 41.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.8 ptm180 -150.03 125.98 10.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.2 pt20 -34.84 142.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 4.9 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 13.6 mmm180 -88.46 -144.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.68 114.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -141.83 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 27.6 mt -101.2 103.25 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.54 154.21 19.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 71.7 m -78.01 156.07 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 108.351 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -93.55 21.47 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.76 4.32 39.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.942 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.54 44.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.798 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER 79.57 -53.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' ASP . 22.1 mtmt -38.33 144.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.97 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.84 161.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -86.99 125.17 33.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.49 158.47 27.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 5.5 t -104.21 88.26 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 108.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.89 160.85 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -95.28 171.26 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.9 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.15 2.73 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -125.32 147.75 49.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -137.33 140.86 41.76 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.76 175.79 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.285 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 5.3 tp -65.9 89.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 29' ' ' PRO . 74.0 t -79.86 143.81 58.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.07 -169.57 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.61 152.2 24.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.11 109.15 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.2 m -88.96 110.86 21.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' ARG . 29.1 p -116.8 141.39 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -160.79 128.24 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.01 -95.46 0.28 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -139.2 26.73 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 p -135.08 140.81 45.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 28.3 ttp180 -144.51 150.37 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 4.1 tp -151.08 142.05 22.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.7 m -114.47 110.16 19.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.56 173.18 14.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.432 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -89.02 115.97 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.392 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -155.0 88.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 1.6 m-85 -100.7 168.49 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.442 0.163 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -141.64 71.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.7 m -54.11 131.56 59.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.03 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 m -60.83 127.03 29.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . 95.96 4.21 60.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 40.5 m-85 -129.25 154.33 46.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' CYS . 3.3 tmt_? -145.29 111.38 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 3.7 pt20 -36.75 126.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 108.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' TYR . 20.7 mtp180 -106.3 61.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' ARG . 43.2 p90 -35.81 125.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.53 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' N ' ' OG1' ' A' ' 6' ' ' THR . 2.5 mp -105.37 114.65 28.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -121.45 164.0 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.939 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -109.53 148.34 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.443 ' OD2' HD12 ' A' ' 13' ' ' LEU . 3.3 t70 -89.3 -10.8 45.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' CA ' ' OH ' ' A' ' 44' ' ' TYR . . . 86.38 -25.79 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.95 83.59 1.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 0.746 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 165.69 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 179.1 133.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.939 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -54.15 140.42 32.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.15 163.27 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -93.14 131.04 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.28 157.46 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -93.08 82.4 4.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 108.364 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.64 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -97.46 158.3 15.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.17 -178.04 3.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.49 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' GLU . 2.2 p -78.82 -77.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 26.1 tp10 -35.96 153.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.3 t -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.072 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -139.53 174.66 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.43 94.13 6.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -80.16 143.58 56.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.7 Cg_endo -74.92 -171.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 161.94 28.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -109.53 111.41 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.0 m -89.58 125.86 35.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 136.33 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -133.8 114.25 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.45 -94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -127.3 43.63 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -149.3 162.49 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -147.44 147.99 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.687 HD21 ' HE2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -151.3 143.81 24.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.94 ' O ' HD23 ' A' ' 41' ' ' LEU . 19.7 m -116.04 121.79 43.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.94 HD23 ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.52 -175.81 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 29' ' ' PRO . 5.2 m -113.42 123.96 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.04 142.48 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.441 ' OH ' ' CA ' ' A' ' 11' ' ' GLY . 30.1 m-85 -101.0 172.52 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 52' ' ' GLN . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 71.5 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.58 0.228 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HA3' ' A' ' 45' ' ' GLY . 2.8 tp60 -150.58 155.6 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 152.88 43.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.21 27.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m -64.75 127.76 32.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.22 -5.38 61.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.687 ' HE2' HD21 ' A' ' 39' ' ' LEU . 42.6 m-85 -113.87 177.32 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -147.61 -179.99 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.03 122.81 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 42.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 22' ' ' GLU . 0.9 OUTLIER -89.45 -146.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 84.6 t80 -178.15 106.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -140.65 166.56 24.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.88 99.62 11.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.19 161.15 13.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -99.08 144.32 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -13.56 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.14 -25.06 7.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 70.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 177.45 -93.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -178.06 132.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -45.17 124.69 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.27 163.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 1.3 p -74.09 133.67 42.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.88 157.54 45.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 109.24 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 t -107.6 108.32 19.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -128.46 158.29 38.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 18.8 m-70 -93.18 170.45 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.28 -31.72 71.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.88 3.66 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.927 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -124.12 152.87 42.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 129.45 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.3 p -106.46 176.27 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 108.252 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 44' ' ' TYR . 3.6 tp -68.9 76.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.932 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -74.0 149.5 87.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.932 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 -169.46 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 51' ' ' PHE . . . -148.36 140.1 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 5.1 m-20 -89.23 107.0 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.05 121.56 32.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 8.5 m -104.55 143.96 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.647 HH21 ' HA2' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -150.61 126.84 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.31 -99.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -127.83 51.41 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -157.79 156.32 31.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -149.65 146.51 27.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.819 HD13 ' CD1' ' A' ' 41' ' ' LEU . 2.3 pp -151.93 150.29 29.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -114.07 114.06 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.819 ' CD1' HD13 ' A' ' 39' ' ' LEU . 4.8 mt -142.79 -175.22 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 73.6 m -111.32 124.45 52.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 31.8 t -155.85 90.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 42' ' ' CYS . 1.2 m-85 -105.68 165.91 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 13.2 t80 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.47 0.176 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -133.56 108.84 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.42 135.86 46.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -75.01 176.39 9.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -61.3 131.02 49.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.647 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 92.32 -1.43 73.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.465 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.9 m-85 -123.23 153.89 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 6.9 ptp180 -147.74 123.21 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -36.79 140.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.372 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 31' ' ' ASP . 34.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -108.08 95.83 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.53 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 98.9 m-85 -52.13 132.65 33.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -142.84 163.49 32.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -96.7 116.59 29.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.9 m -126.33 165.26 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.803 ' CB ' HD23 ' A' ' 27' ' ' LEU . 4.1 m -85.06 159.12 20.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -100.14 42.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.542 ' CA ' HD22 ' A' ' 27' ' ' LEU . . . 91.01 -23.93 21.14 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.85 -133.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.68 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.1 tm? -92.6 -32.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG3' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -50.3 101.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.69 129.92 34.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.12 154.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 133.83 33.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.29 163.83 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 4.2 t -116.57 97.68 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.527 HD22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 mp -116.81 156.72 26.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.49 173.6 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.46 -32.3 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.45 2.9 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -124.5 157.2 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.66 137.91 21.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -111.29 173.09 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' CB ' ' A' ' 9' ' ' CYS . 4.5 tp -58.86 84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.726 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.0 t -78.06 143.52 65.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.726 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.93 165.73 29.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 17.4 m-20 -108.12 125.56 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 0.714 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 m -106.93 117.3 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.2 131.94 46.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tmm_? -133.13 126.95 32.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 39.38 -94.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ARG . 15.5 pttp -127.49 54.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -158.56 159.14 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.907 ' C ' HD22 ' A' ' 39' ' ' LEU . 6.7 tmm_? -134.96 150.53 50.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.907 HD22 ' C ' ' A' ' 38' ' ' ARG . 3.6 mm? -141.59 162.1 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.965 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.5 m -143.38 103.78 4.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.965 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -151.09 -172.41 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.5 m -108.52 132.26 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.5 t -161.51 99.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 27' ' ' LEU . 6.4 m-85 -103.26 177.04 4.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 2.1 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.499 0.19 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.9 OUTLIER -143.47 71.43 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -45.58 153.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -63.85 129.33 39.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 110.418 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -11.26 67.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 63.4 m-85 -107.13 166.37 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -150.76 124.13 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 7.8 mt-30 -39.32 127.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -95.32 77.67 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.559 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 93.7 m-85 -50.73 117.51 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -131.65 162.73 29.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.408 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.06 118.87 29.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.6 m -130.36 166.81 19.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 2.2 m -102.1 148.19 25.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.6 -6.49 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.17 -32.92 4.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -151.73 88.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 169.01 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.6 123.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -37.04 119.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -130.2 -169.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.723 ' N ' HG13 ' A' ' 16' ' ' VAL . 22.2 p -88.46 153.71 20.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.24 152.81 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 6.1 t -114.0 93.23 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 19' ' ' CYS . 6.2 mp -128.48 160.5 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -90.98 -177.97 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.45 -30.07 70.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -79.55 -78.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.5 tp10 -38.36 151.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.413 ' N ' HD23 ' A' ' 20' ' ' LEU . 1.3 m -140.61 164.86 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.59 170.86 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.345 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 6.4 tp -69.1 91.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -65.97 143.4 98.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.88 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.448 1.762 . . . . 0.0 111.074 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.64 140.7 8.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.17 118.83 37.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -99.99 115.54 29.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.253 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -95.29 122.61 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.167 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LYS . 5.8 ttp180 -114.55 108.44 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.49 -86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.88 38.6 3.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 1.3 m -143.99 165.26 28.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 41.9 ttp180 -134.21 150.87 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 57' ' ' TYR . 20.4 mt -146.15 103.93 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.1 m -93.39 110.22 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.48 172.05 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.7 m -89.06 115.24 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.33 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.558 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 16.5 t -159.04 95.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 1.4 m-85 -89.88 163.41 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 15.5 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.598 0.237 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.35 125.13 9.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.27 153.89 76.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 108.27 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.97 175.85 10.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 m -62.72 134.04 55.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.79 -4.73 84.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 47.1 m-85 -116.45 149.73 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLN . 14.1 ptm180 -145.42 125.4 13.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -37.59 127.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 93.89 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.43 123.23 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -135.56 168.75 18.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -106.55 133.79 50.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.0 m -133.99 164.71 26.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 108.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -106.54 147.48 29.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 108.257 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -13.75 38.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.03 -25.38 6.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 71.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 173.35 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -172.05 153.89 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.622 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -72.32 119.37 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -120.82 176.44 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -107.48 149.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.67 164.3 36.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 t -89.77 87.09 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.751 HD23 ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -92.96 172.81 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 51.3 m80 -132.26 -177.23 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -51.75 -36.52 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.46 12.22 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.751 ' CG ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -33.77 142.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.3 p -151.79 91.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 6.2 p -145.66 -178.11 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.4 tp -91.71 86.71 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.954 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -75.93 150.23 83.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.954 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.08 -173.0 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.604 1.844 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' CA ' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.71 157.22 27.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 109.78 21.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 29.5 m -89.45 117.83 28.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.09 119.6 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.34 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.785 HH21 ' HA3' ' A' ' 56' ' ' GLY . 7.1 ttm180 -113.06 88.92 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.42 -78.83 0.12 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.33 24.2 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -134.59 104.59 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -94.51 144.45 25.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.038 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -146.24 129.25 16.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 19.2 m -106.37 114.07 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.038 HD23 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.65 175.01 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.1 m -99.3 115.4 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.7 p -157.55 94.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -106.42 174.55 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -146.6 73.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -53.76 129.5 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.247 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -176.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.96 134.69 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.785 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 87.85 -3.68 85.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 41.7 m-85 -122.37 147.57 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -145.02 123.12 12.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.0 mt-30 -37.12 126.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 5' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -101.32 66.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 82.8 m-85 -36.91 118.53 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.52 172.47 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.7 mp -90.17 122.38 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.0 m -139.01 170.58 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -100.85 128.19 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 108.331 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -10.83 43.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.81 10.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -148.98 87.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 7.1 tp 153.85 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 96.84 135.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.923 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -37.56 117.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.56 HG22 ' H ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -145.0 -176.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.56 ' H ' HG22 ' A' ' 16' ' ' VAL . 14.4 m -79.26 144.59 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 158.69 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 46.3 t -109.29 91.68 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -113.69 166.9 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.4 m-70 -106.16 170.98 7.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -30.16 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 1.54 21.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 1.8 tp10 -129.12 152.7 48.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 164.7 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.718 ' SG ' HD22 ' A' ' 20' ' ' LEU . 1.2 p -137.42 178.88 6.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.3 tp -93.4 98.02 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.767 HG13 ' HD2' ' A' ' 29' ' ' PRO . 57.0 t -69.13 144.16 94.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.767 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.589 1.836 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.69 153.21 25.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.19 109.53 20.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 5.2 m -88.98 120.61 30.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -107.83 137.08 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.253 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.707 HH21 ' HA2' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -142.61 127.44 18.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.02 -97.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -130.82 47.89 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -153.32 156.45 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.9 ttp180 -143.39 150.37 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.007 HD21 HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -150.5 133.54 16.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.9 m -111.63 112.41 24.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.407 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.007 HD23 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.16 171.21 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.923 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 4.0 m -89.49 118.91 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.9 m -153.71 109.14 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -89.62 161.55 16.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 23.5 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.471 0.177 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -140.35 -177.3 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -122.13 139.48 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.223 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.98 175.77 10.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -61.14 130.92 48.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.707 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 90.41 -1.56 79.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.0 m-85 -123.25 155.63 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -148.37 120.53 8.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 5.9 tt0 -36.95 137.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -103.27 89.45 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.201 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -51.88 113.94 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -125.88 163.09 23.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.17 109.24 20.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 m -105.54 158.64 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.04 155.15 19.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -15.19 34.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 27' ' ' LEU . . . 86.07 -26.55 6.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.98 60.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 179.92 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmmt -150.68 -176.66 5.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.45 117.15 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.585 HG22 ' H ' ' A' ' 17' ' ' SER . 6.3 p -116.93 173.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.585 ' H ' HG22 ' A' ' 16' ' ' VAL . 11.9 p -87.65 149.98 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.03 158.6 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.21 91.63 3.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.323 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 158.24 26.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 33.9 m-70 -98.48 173.95 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -66.31 -31.36 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.05 2.37 20.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -125.66 146.6 49.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 146.94 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.935 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -127.81 178.37 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.6 tp -64.93 75.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.608 HG22 ' HD2' ' A' ' 29' ' ' PRO . 2.9 p -65.57 142.09 98.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.608 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.01 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.09 156.85 27.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.5 m-20 -106.54 125.2 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 16.0 m -102.73 122.25 44.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 0.7 OUTLIER -96.37 132.1 42.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 6.2 ttm180 -131.21 89.07 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.24 -83.01 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.396 1.06 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -137.09 22.16 3.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -128.58 118.79 23.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -97.0 147.65 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -140.23 159.61 41.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.945 ' O ' HD23 ' A' ' 41' ' ' LEU . 7.6 m -138.27 114.53 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.45 -172.29 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -110.46 122.16 47.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 108.209 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -160.71 115.36 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 44.3 m-85 -116.06 179.34 4.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.484 0.183 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.13 66.44 1.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.2 m -50.59 151.53 4.0 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.02 167.95 25.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.2 m -63.54 126.2 26.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.84 -5.74 53.98 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 43.3 m-85 -114.3 176.71 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -147.12 -175.02 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.36 124.47 35.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.6 mtm-85 -103.86 77.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 p90 -46.61 117.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.0 m -130.66 166.39 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 112.54 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.1 m -111.56 163.08 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 3.0 m -103.17 132.89 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -105.21 21.7 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.62 26.98 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -127.49 -126.87 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -37.71 -65.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 177.6 176.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -57.4 119.44 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -121.62 155.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -73.08 151.4 41.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 153.58 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -99.37 86.33 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.774 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -112.36 166.17 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.651 ' O ' HD12 ' A' ' 20' ' ' LEU . 69.2 m80 -118.45 -179.29 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.574 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -25.42 64.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -1.33 36.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -131.76 155.72 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 134.92 17.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.774 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -117.65 170.37 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 9.4 tp -63.49 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 29' ' ' PRO . 76.2 t -68.46 143.41 95.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 -167.8 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -148.79 150.62 22.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.563 1.164 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.1 m-20 -107.15 121.99 45.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' CB ' ' CD2' ' A' ' 57' ' ' TYR . 5.0 m -97.28 116.64 29.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.6 m -114.31 141.26 47.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 108.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -153.31 114.79 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.34 -98.41 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 24.46 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 m -123.92 153.22 41.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 42.0 ttp180 -147.31 152.26 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.679 HD22 ' OH ' ' A' ' 57' ' ' TYR . 1.6 tp -150.49 160.89 43.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.944 ' O ' HD23 ' A' ' 41' ' ' LEU . 35.2 m -139.87 110.09 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.85 -169.41 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.58 122.63 45.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 108.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -160.16 92.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -101.88 173.08 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.495 0.188 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.46 70.49 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -48.07 135.99 11.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.01 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.413 1.744 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.55 123.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 99.37 -7.05 59.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.679 ' OH ' HD22 ' A' ' 39' ' ' LEU . 5.5 m-30 -114.26 150.96 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.324 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 4.6 pt20 -35.39 136.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.047 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.618 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 6' ' ' THR . 16.1 tpp180 -102.42 69.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.569 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 92.3 m-85 -46.17 117.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -143.57 173.7 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.1 mt -98.51 119.82 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.34 161.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -100.78 132.73 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 12' ' ' ALA . 69.1 m-20 -118.93 32.21 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.06 27.01 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 10' ' ' ASP . . . -103.13 -129.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.961 HD13 ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.07 -37.11 86.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.961 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER 172.03 -169.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 116.23 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.24 146.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 150.87 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.64 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 5' ' ' TYR . 5.5 t -113.11 95.98 5.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -126.67 167.38 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.618 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 2.7 m-70 -113.18 -179.84 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -26.02 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -0.99 33.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.939 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -130.53 157.62 42.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 159.62 41.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.733 ' SG ' HD22 ' A' ' 20' ' ' LEU . 1.1 p -138.37 176.75 8.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD21 ' CE2' ' A' ' 44' ' ' TYR . 1.2 tp -73.89 85.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.6 p -69.79 143.21 91.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.6 Cg_endo -74.92 -172.59 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.46 152.82 24.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -107.0 110.25 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.787 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' O ' HD23 ' A' ' 39' ' ' LEU . 16.3 m -89.17 121.02 31.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 108.277 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 129.22 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.1 ttp180 -127.6 101.34 6.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.12 -81.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.573 1.171 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -140.6 24.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -132.32 112.66 12.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -103.31 145.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.234 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 32' ' ' CYS . 1.4 pt? -150.25 137.98 19.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -107.93 119.04 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -150.44 169.2 22.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.544 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 m -90.13 120.43 31.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -154.74 126.44 7.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.997 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.639 ' CE2' HD21 ' A' ' 27' ' ' LEU . 1.9 m-85 -89.51 165.49 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 43' ' ' SER . 2.4 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.421 0.153 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.3 tt0 -143.63 -176.86 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.74 145.55 34.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.244 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.0 178.05 7.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 t -61.6 135.7 57.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.09 -4.77 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 42.9 m-85 -119.37 153.57 34.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.7 tmt_? -147.49 122.36 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.4 mt-30 -37.56 130.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.624 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 6' ' ' THR . 14.9 mtm180 -118.89 99.72 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -46.15 116.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.4 m -128.56 166.1 19.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -108.94 117.83 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 m -118.9 157.61 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 m -75.57 149.78 38.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LYS . 9.9 m-20 -94.36 29.36 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.22 3.11 44.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.16 45.92 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 71.09 -54.48 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 1.012 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.46 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.72 122.98 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.5 144.44 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.4 p -84.82 135.27 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.32 157.85 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -93.64 82.38 4.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.168 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.533 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -102.79 157.4 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.624 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 86.3 m-70 -106.28 -179.67 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.544 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.22 1.75 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.94 156.36 39.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.3 p -148.27 147.45 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -136.03 172.47 12.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.899 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -66.91 93.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' ' 29' ' ' PRO . 69.5 t -81.51 143.87 52.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.226 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.749 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 -169.6 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.599 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 150.26 22.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.664 ' CG ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -114.42 102.57 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 3.2 m -89.43 121.57 31.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -120.76 148.53 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.38 120.62 4.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.01 -88.18 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.2 26.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -131.12 121.3 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -122.66 148.12 45.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 tp -150.69 132.92 15.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.664 HG23 ' CG ' ' A' ' 31' ' ' ASP . 10.0 m -115.0 112.69 23.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -152.02 171.63 17.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' LEU . 32.5 m -94.3 124.58 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 108.235 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 t -160.13 109.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.899 ' CE1' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -95.3 164.29 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.966 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.599 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 5.3 t80 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.493 0.187 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' SER . 4.0 tp60 -148.44 90.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 60.4 m -60.5 147.25 83.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.36 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.0 167.83 26.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -63.43 130.93 46.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 92.24 -1.27 73.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 43.6 m-85 -124.8 147.07 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 0.803 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.3 ptp180 -145.92 129.28 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -37.34 131.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 108.356 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -107.12 88.76 2.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -49.23 115.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' SER . 1.7 m -120.82 162.74 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.26 101.43 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.5 m -111.31 164.52 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -90.38 155.88 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.358 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.606 ' OD2' HD23 ' A' ' 13' ' ' LEU . 7.7 m-20 -89.25 -11.71 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -35.77 4.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.85 67.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.606 HD23 ' OD2' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -178.9 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -178.37 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.64 117.66 30.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -117.97 178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -96.27 116.39 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.97 151.03 25.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -99.06 84.4 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.51 ' CD2' ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -117.41 158.64 24.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -95.14 175.01 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.03 -31.18 71.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.38 3.44 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.7 tp10 -122.94 154.8 37.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.04 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.61 169.5 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.259 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD21 ' HE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -63.34 93.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.359 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.411 HG13 ' HD2' ' A' ' 29' ' ' PRO . 1.2 t -78.85 150.56 75.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.12 147.0 17.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -108.19 104.6 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 1.3 m -89.85 124.76 34.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.69 143.61 31.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.36 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -141.45 103.37 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.401 1.063 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -85.79 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -141.09 24.09 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -132.88 123.73 26.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 110.055 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.8 ttp180 -105.95 152.68 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.744 HD21 HD12 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.23 125.95 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.72 ' O ' HD23 ' A' ' 41' ' ' LEU . 7.2 m -109.6 120.42 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 HD21 ' A' ' 39' ' ' LEU . 30.8 mt -150.96 -179.84 7.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 m -109.49 119.36 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.353 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -160.8 141.48 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HE1' HD21 ' A' ' 27' ' ' LEU . 58.8 m-85 -100.5 175.63 5.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 52' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 86.4 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.508 0.194 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -141.83 -157.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.77 171.85 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.06 172.33 16.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.477 1.778 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 m -62.72 126.23 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.41 -10.06 46.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 3.4 m-85 -107.77 117.49 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -132.03 124.74 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.8 tt0 -33.7 137.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' TYR . 44.3 ttp180 -95.66 73.19 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.0 m-85 -36.26 122.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -139.16 172.87 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.4 mm? -95.08 117.75 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.3 m -121.46 161.98 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.273 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 34.7 m -105.06 146.74 28.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.335 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.45 -7.28 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.25 -32.6 4.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.39 84.3 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.582 0.813 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER 173.33 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -177.1 122.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -39.09 117.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 17' ' ' SER . 8.9 p -129.02 173.03 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 16' ' ' VAL . 23.5 m -72.17 151.8 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.25 157.8 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -111.09 92.96 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.546 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -128.33 158.3 38.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.637 1.211 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 68.7 m80 -104.14 -179.65 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -26.87 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.76 1.48 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -127.12 151.5 48.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -136.84 127.54 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.546 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -106.9 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.264 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' HE1' ' A' ' 44' ' ' TYR . 2.0 tm? -78.12 95.81 5.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.746 HG22 ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -82.67 143.9 47.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.746 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.04 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -147.99 146.31 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 0.0 111.065 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -106.77 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 5.1 m -92.2 124.41 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.1 p -118.01 146.99 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.311 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -158.96 127.81 5.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.11 -90.19 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 27.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 p -140.46 138.0 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 32.1 ttp180 -141.32 151.64 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.3 150.19 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -117.17 126.84 53.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 39' ' ' LEU . 85.9 mt -150.69 -176.43 5.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.23 116.43 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 6.7 m -159.92 135.77 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.419 ' HE1' HD11 ' A' ' 27' ' ' LEU . 23.5 m-85 -98.13 174.53 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.574 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 87.4 t80 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.537 0.208 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -120.06 -171.44 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.7 m -143.13 144.57 29.23 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.99 166.06 30.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -62.4 128.47 36.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.3 0.79 58.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 46.5 m-85 -126.21 159.36 33.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -145.7 118.47 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -36.83 128.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.341 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -114.47 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -43.99 123.06 3.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 1.9 m -128.38 163.26 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.0 mt -90.73 114.14 26.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 18' ' ' ALA . 10.3 m -108.75 156.93 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.39 159.96 14.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -89.7 15.28 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 27' ' ' LEU . . . 82.54 -12.75 44.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.39 -131.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.8 -24.61 21.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.914 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.54 163.69 15.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.27 129.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.643 HG22 ' H ' ' A' ' 17' ' ' SER . 8.8 p -138.86 175.25 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.643 ' H ' HG22 ' A' ' 16' ' ' VAL . 31.1 t -92.9 155.9 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . -149.17 162.03 40.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.47 93.78 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' CG ' ' A' ' 24' ' ' GLU . 5.7 mp -120.53 158.82 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 55.0 m80 -98.03 -179.84 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.65 0.75 28.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.8 tp10 -127.87 153.99 46.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.26 133.26 16.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -111.11 177.99 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.363 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -65.78 73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.621 HG23 ' HD2' ' A' ' 29' ' ' PRO . 4.4 p -62.17 141.79 95.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.07 149.53 21.54 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.115 . . . . 0.0 111.076 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.52 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -108.95 115.24 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 m -89.71 114.17 25.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -114.76 141.47 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -152.47 125.9 8.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.13 -98.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -123.49 51.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 t -153.88 153.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 6.7 tmm_? -150.25 150.07 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 10.3 tp -151.12 162.46 40.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.959 ' O ' HD23 ' A' ' 41' ' ' LEU . 38.9 m -138.3 113.84 9.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.959 HD23 ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.43 -173.78 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -106.95 117.68 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.615 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 13.9 m -160.32 115.86 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.5 m-85 -112.67 179.44 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 110.989 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 43' ' ' SER . 1.5 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.472 0.177 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -129.72 64.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -49.42 137.62 16.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.4 6.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.23 132.93 55.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 82.86 6.11 88.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 32.6 m-85 -131.68 144.14 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -143.53 123.35 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -36.24 141.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.5 155.58 25.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.9 160.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -112.51 96.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -48.2 109.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.2 m -112.41 164.29 13.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.44 108.45 20.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -127.98 165.73 19.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.833 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 11.5 m -103.44 149.53 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.07 -11.14 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -27.94 6.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 13' ' ' LEU . . . -150.77 79.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER 173.19 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 174.59 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.833 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -50.09 125.96 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG22 ' H ' ' A' ' 17' ' ' SER . 1.4 p -143.8 -175.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -98.5 132.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.18 158.81 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.67 85.11 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.726 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -118.43 156.73 28.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.42 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 26.9 m-70 -95.7 172.08 8.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -30.77 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 2.92 17.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.566 ' O ' HD11 ' A' ' 20' ' ' LEU . 1.3 tt0 -124.26 150.37 45.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.2 p -126.71 170.17 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.726 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -153.2 170.7 19.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -67.12 93.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.707 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.3 t -70.64 143.51 89.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.08 -172.37 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.77 142.93 10.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -102.73 110.26 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.7 m -89.25 126.02 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.19 132.27 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 5.3 ttm180 -127.78 91.07 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.69 -81.73 0.16 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -139.47 23.19 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 m -130.61 118.02 20.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.97 148.59 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 13.4 tp -147.6 144.61 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -118.8 118.12 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.35 174.86 10.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.07 116.68 32.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 5.1 m -160.5 128.28 4.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.602 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -90.44 167.01 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -126.34 119.09 3.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -38.68 125.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.46 -63.7 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.89 -68.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -147.75 71.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.23 153.79 25.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 12.6 t80 -100.02 148.31 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.61 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -128.93 177.77 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.1 m -119.67 156.34 53.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 167.38 27.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.5 m -63.82 129.06 38.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.68 -5.12 64.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 36.0 m-85 -115.81 174.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -144.62 -177.94 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.97 133.77 34.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -119.89 161.43 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB3' ' NE2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER 59.69 158.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.553 1.158 . . . . 0.0 108.254 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -112.31 85.35 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.84 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.08 161.11 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.628 1.205 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 16' ' ' VAL . 3.1 mm? -94.14 124.38 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 26.1 m -116.14 158.85 22.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.306 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -110.21 142.51 41.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.51 -7.11 55.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.12 -32.99 4.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -151.77 81.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 176.34 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.4 121.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -40.38 122.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' C ' HD13 ' A' ' 7' ' ' LEU . 7.2 p -122.21 148.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' HD13 ' A' ' 7' ' ' LEU . 6.0 p -68.89 151.51 46.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.13 147.94 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t -94.61 82.01 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.812 HD22 ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp -109.83 156.7 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 3' ' ' CYS . 63.2 m80 -105.9 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.39 -27.52 67.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.31 0.42 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -129.14 151.06 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -150.22 136.13 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.812 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -123.18 173.72 7.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 108.262 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 44' ' ' TYR . 6.7 tp -64.81 77.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.626 HG22 ' HD2' ' A' ' 29' ' ' PRO . 3.1 p -65.67 142.56 98.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.626 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.05 -168.09 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.416 1.745 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.02 146.75 16.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -106.3 104.4 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 11.3 m -87.94 112.29 22.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.75 143.81 46.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.246 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.2 127.63 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.75 -88.86 0.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.598 1.186 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.42 29.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.2 m -135.2 122.03 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -120.01 147.9 44.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.847 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.95 132.01 14.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -111.28 110.65 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.847 HD23 HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.68 177.75 10.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' H ' HD12 ' A' ' 41' ' ' LEU . 1.6 m -89.15 116.64 27.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -147.06 100.25 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.034 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 1.3 m-85 -97.01 163.1 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.86 152.81 5.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 59.64 151.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.39 -49.48 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.77 -57.96 0.62 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.91 98.82 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.51 -137.06 2.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 45.7 t80 -126.02 151.37 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 150.48 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 20.7 m -115.49 123.61 31.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 108.271 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -60.94 135.16 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.43 0.91 86.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 35.9 m-85 -127.18 144.94 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 0.803 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.7 mtp180 -139.75 109.51 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -35.14 125.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 1.2 mtm180 -115.61 156.37 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER 86.76 137.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.373 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -112.9 91.92 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.8 p90 -36.08 98.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -107.8 148.31 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.6 120.57 24.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -134.61 169.04 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.849 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.8 m -110.11 143.87 39.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.355 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.12 -13.23 38.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.84 -24.28 7.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 74.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.56 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.5 117.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -36.46 125.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 17' ' ' SER . 4.9 p -145.17 178.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.689 ' H ' HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -87.56 136.21 33.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.028 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.96 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.36 78.77 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.47 157.65 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 39.2 m-70 -97.46 174.36 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.06 3.26 17.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.178 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.34 151.34 42.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 139.96 38.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.75 171.84 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.528 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -72.48 90.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.8 t -63.34 143.62 97.72 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.1 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.03 146.52 16.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -104.6 126.76 51.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 70.7 m -101.63 124.0 46.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 108.276 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 131.5 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.683 ' CZ ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 ttm180 -132.2 92.22 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.51 -84.98 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.96 23.4 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -128.34 122.49 31.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.763 ' O ' HD22 ' A' ' 39' ' ' LEU . 1.9 ptm180 -96.96 147.12 24.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.763 HD22 ' O ' ' A' ' 38' ' ' ARG . 4.1 mm? -137.55 161.97 34.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.951 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.9 m -142.6 115.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.36 177.99 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.7 118.93 37.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 108.288 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -157.08 104.33 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -98.2 160.23 14.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.46 145.54 14.32 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.77 144.71 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 0.809 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.51 42.27 99.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.18 -104.54 0.35 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -149.72 81.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 37.55 -109.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 92.3 t80 -63.91 149.67 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.596 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -119.58 -169.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 1.7 m -152.61 155.18 32.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 167.52 26.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 127.02 29.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.02 -5.56 59.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CE1' ' CZ ' ' A' ' 34' ' ' ARG . 38.6 m-85 -112.4 168.73 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 0.732 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 mmp_? -136.59 -167.1 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -98.58 123.09 42.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -133.21 160.05 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.84 161.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 108.238 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.77 79.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 5' ' ' TYR . 7.3 p90 -48.92 116.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.3 m -127.09 164.28 21.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.443 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.4 114.09 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.5 m -123.1 167.54 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.26 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.6 m -101.1 147.95 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -15.1 34.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.79 -25.24 6.8 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.416 1.072 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.78 72.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 175.02 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 177.7 133.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.32 129.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 17' ' ' SER . 2.0 p -143.45 -172.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.709 ' H ' HG22 ' A' ' 16' ' ' VAL . 16.1 m -92.2 146.76 23.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.959 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 5' ' ' TYR . . . -140.93 147.75 39.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.26 89.5 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.867 HD22 ' SG ' ' A' ' 26' ' ' CYS . 4.4 mp -121.02 153.96 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -91.96 175.46 6.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.593 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -31.27 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.26 2.89 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.073 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -125.46 154.32 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -150.13 138.2 20.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 110.042 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.867 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -118.6 167.81 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.651 ' CD2' ' CZ ' ' A' ' 44' ' ' TYR . 10.5 tp -60.46 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.592 HG23 ' HD2' ' A' ' 29' ' ' PRO . 6.2 p -72.93 141.87 82.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.592 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.06 -171.12 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.83 138.87 7.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -97.07 108.64 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . 55.1 m -90.44 119.98 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -110.13 141.69 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 108.242 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 56' ' ' GLY . 4.8 tpm_? -150.98 121.9 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -87.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -145.01 27.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -135.88 120.27 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.99 146.79 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.975 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.65 150.83 31.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -113.66 118.88 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.975 HD23 HD21 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.32 170.9 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.59 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 m -90.14 119.84 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -149.42 88.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.651 ' CZ ' ' CD2' ' A' ' 27' ' ' LEU . 1.1 m-85 -89.79 163.83 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.34 -165.75 12.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 7.5 mp0 -130.52 139.23 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.256 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.81 42.51 3.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.17 -108.21 1.26 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' GLY . 2.6 t-20 -150.32 87.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . 36.95 -110.23 0.09 OUTLIER Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 32.7 t80 -56.89 151.89 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.383 0.696 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -148.67 116.69 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 2.6 m -78.17 135.57 62.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.1 Cg_endo -75.1 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -61.49 127.11 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.504 ' O ' ' CD ' ' A' ' 34' ' ' ARG . . . 100.17 -1.17 56.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 38.6 m-85 -121.62 158.86 27.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -140.53 101.01 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 pt20 -37.62 126.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.42 155.63 46.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' SG ' ' C ' ' A' ' 19' ' ' CYS . 0.0 OUTLIER 178.82 153.32 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 108.241 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' O ' ' OG1' ' A' ' 6' ' ' THR . 2.1 tpm_? -109.19 80.79 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 19.2 p90 -44.2 122.99 3.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 3.9 m -133.14 166.12 23.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.29 129.87 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 70.9 m -140.78 165.04 28.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.3 160.31 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -87.58 -16.09 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -38.29 3.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . -152.9 72.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 6.6 tp -178.86 -99.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 13' ' ' LEU . 20.2 mmtt -145.09 -179.0 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.182 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.84 120.42 40.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -122.99 174.08 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 16' ' ' VAL . 33.8 t -93.18 152.29 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.067 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 5' ' ' TYR . . . -147.91 158.71 44.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 6.7 t -109.47 91.32 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.12 155.47 29.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -93.26 177.64 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.65 -30.32 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.32 1.99 23.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -127.05 153.26 46.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.47 137.86 19.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -113.03 170.58 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.8 HD21 ' CE2' ' A' ' 44' ' ' TYR . 7.0 tp -60.84 87.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.79 HG13 ' HD2' ' A' ' 29' ' ' PRO . 54.4 t -77.15 144.6 71.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.79 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.582 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.12 156.97 27.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.539 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -102.57 117.85 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.2 m -92.07 118.6 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.72 130.63 36.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' LYS . 10.2 ttp180 -131.29 102.33 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.04 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 17.8 ptmt -130.93 45.55 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -156.52 122.67 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -98.26 147.11 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 1.1 tt -139.16 162.01 36.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -134.97 114.03 12.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.92 169.34 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 41' ' ' LEU . 64.0 m -100.22 127.19 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.81 105.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.077 . . . . 0.0 110.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.8 ' CE2' HD21 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -103.31 159.3 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -146.58 68.43 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' GLY . 2.4 pt-20 -36.63 139.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.0 85.69 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.59 -71.25 0.47 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 1.6 t-20 -150.63 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 0.721 . . . . 0.0 109.377 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -32.87 -44.29 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.582 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 38.7 t80 -106.78 150.78 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -140.77 150.87 43.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.6 150.43 45.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.05 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -62.4 132.13 51.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.366 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.68 -6.52 82.06 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 52.6 m-85 -115.87 157.05 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.3 mpp_? -150.47 125.35 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -35.78 140.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 108.348 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 2.3 mtm180 -97.66 156.54 16.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 2' ' ' ARG . 0.5 OUTLIER 76.72 157.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.2 ttp180 -112.34 96.01 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.98 115.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.3 m -122.14 164.76 17.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.6 107.78 18.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.4 162.64 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.76 152.59 22.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 108.358 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -105.56 7.56 32.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -24.69 6.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -89.74 44.72 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 mm? 31.9 54.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.12 78.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.7 137.8 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.54 164.46 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -88.34 130.89 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.94 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.87 83.33 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -113.53 158.82 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.27 172.03 8.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -32.23 73.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.04 2.68 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HB3' HD23 ' A' ' 20' ' ' LEU . 12.6 tt0 -123.06 147.0 47.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.25 151.16 51.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.54 170.47 14.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.783 HD21 ' CE1' ' A' ' 44' ' ' TYR . 3.5 tt -60.28 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -80.99 148.07 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.39 142.06 9.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.95 100.39 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.9 m -89.18 118.82 29.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 139.12 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 108.347 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 35' ' ' GLY . 2.5 tmm_? -137.96 126.26 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 50.48 -93.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -132.5 48.46 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -151.42 154.89 37.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 37.6 ttp180 -132.94 151.79 52.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 53.1 tp -150.03 110.56 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 m -101.47 102.02 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.86 169.4 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' LEU . 67.2 m -90.94 134.68 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 108.396 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.5 116.01 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.783 ' CE1' HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -92.54 161.67 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.07 152.86 7.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.7 9.46 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.23 100.04 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.99 -32.74 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -113.4 79.85 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.75 172.98 32.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 66.1 t80 -109.7 150.14 28.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -149.3 126.99 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.17 150.92 96.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.29 126.15 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.14 -2.09 65.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 58.9 m-85 -114.87 158.2 22.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -150.24 129.92 13.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -38.69 143.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 108.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -123.03 160.25 26.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.17 160.89 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.89 89.16 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 5.2 m-85 -43.78 112.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.4 m -116.06 164.0 15.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.32 107.86 19.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -120.82 165.85 14.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.26 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -99.8 155.66 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.36 -8.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' CA ' HD13 ' A' ' 27' ' ' LEU . . . 92.95 -35.1 4.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.025 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 13' ' ' LEU . . . -152.73 76.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.802 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.2 tp 177.6 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 109.228 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.87 145.24 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -63.22 138.67 58.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.33 166.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.9 OUTLIER -90.2 132.1 35.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.17 157.77 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 18.5 t -95.08 88.47 5.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -111.5 166.42 11.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.645 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.5 m-70 -108.3 171.73 7.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 109.657 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.2 -30.17 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 1.96 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -129.3 154.93 46.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.5 p -131.21 168.5 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.873 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -146.63 174.03 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 1.1 tt -62.71 79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 29' ' ' PRO . 69.0 t -76.4 143.2 72.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.522 1.801 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.8 144.62 12.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.31 106.96 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 31.9 m -89.9 118.61 29.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -112.98 143.35 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.66 125.04 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.11 -88.3 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.078 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -148.47 29.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m -139.02 121.27 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -124.24 146.05 48.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.947 HD11 ' CE1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -151.2 150.75 30.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.379 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.948 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -114.64 124.91 53.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.15 -174.22 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.5 m -114.48 117.45 31.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -160.62 103.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.8 m-85 -102.9 179.81 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.79 -86.34 1.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -157.1 147.25 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.3 47.54 81.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 48.03 80.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' GLY . 11.3 t-20 -114.75 62.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 44' ' ' TYR . . . 37.42 -109.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -112.96 164.44 13.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -144.47 72.36 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 22.2 m -52.34 122.68 25.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.227 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.97 4.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.1 m -60.71 129.63 42.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 95.82 0.92 61.95 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CE1' HD11 ' A' ' 39' ' ' LEU . 38.3 m-85 -125.92 150.1 48.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -137.8 101.71 4.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 tt0 -35.48 124.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -84.83 163.86 18.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.13 159.55 44.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' TYR . 2.9 mtt85 -119.98 84.41 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' ARG . 3.8 p90 -36.49 105.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.1 152.25 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.82 107.43 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m -106.85 153.21 22.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.523 ' HB2' HD12 ' A' ' 27' ' ' LEU . 50.5 m -86.87 156.84 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.03 30.59 2.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -18.29 37.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -122.28 -135.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.93 -20.61 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HD22 ' A' ' 13' ' ' LEU . 27.1 mtmt -65.79 112.96 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.14 138.62 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 10.6 p -143.48 166.64 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -93.33 135.57 34.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.4 148.09 52.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -89.93 80.56 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.262 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.507 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -101.12 157.3 16.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 31.7 m-70 -102.03 176.8 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -28.73 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.9 2.53 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' O ' HD11 ' A' ' 20' ' ' LEU . 11.5 tp10 -125.12 154.15 41.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 p -145.17 135.31 23.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 109.951 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -121.5 175.1 6.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 44' ' ' TYR . 1.8 tm? -70.16 89.67 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.699 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.7 p -74.67 142.97 77.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.02 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.547 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.02 148.45 19.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.6 m-20 -106.07 110.83 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 m -89.12 123.04 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -104.43 134.82 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.316 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -130.2 103.28 6.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.56 -86.52 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -133.95 20.05 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 0.801 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -119.02 157.87 26.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.46 145.3 40.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -149.1 147.88 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.658 ' O ' HD23 ' A' ' 41' ' ' LEU . 34.3 m -117.52 124.2 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 39' ' ' LEU . 64.6 mt -150.13 178.27 9.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 12' ' ' ALA . 3.6 m -110.43 119.09 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.265 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -152.39 140.91 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE2' HD21 ' A' ' 27' ' ' LEU . 13.1 m-85 -110.01 172.79 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -156.79 21.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 59.16 152.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.21 48.7 3.64 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.12 -100.6 0.14 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -151.29 106.2 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.84 147.87 9.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.143 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 71.2 t80 -69.4 149.83 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.587 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -126.33 -177.21 3.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.25 152.27 77.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.98 172.03 17.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -64.68 129.8 41.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HH21 ' A' ' 58' ' ' ARG . . . 91.01 -2.96 80.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 59.6 m-85 -115.0 160.44 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.485 HH21 ' C ' ' A' ' 56' ' ' GLY . 0.9 OUTLIER -150.76 125.17 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.5 tt0 -37.24 141.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.312 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -130.95 159.19 38.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.624 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -43.56 128.14 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -109.71 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 37.3 m-85 -36.27 97.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -102.84 143.64 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.431 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.12 100.37 10.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 m -102.77 155.31 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.303 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -101.98 133.69 46.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 12' ' ' ALA . 3.0 p-10 -90.15 3.47 53.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.4 23.45 0.81 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.0 47.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.405 0.709 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 157.04 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.712 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -166.86 -178.8 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -79.08 125.77 29.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.82 159.7 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -79.35 144.22 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.62 136.95 34.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 53.4 t -92.01 85.47 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 108.237 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD23 ' CG ' ' A' ' 24' ' ' GLU . 4.0 mp -116.27 158.57 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.624 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 88.5 m-70 -103.35 -179.11 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.563 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.2 -27.82 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.33 0.16 30.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.594 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.6 tp10 -127.19 153.19 46.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.97 138.65 20.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -124.9 173.23 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.832 HD21 ' CE1' ' A' ' 44' ' ' TYR . 11.6 tp -61.94 82.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.953 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -74.85 153.56 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.953 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 -172.33 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.42 154.81 25.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.549 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -104.41 124.36 49.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 52.4 m -103.71 117.39 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 128.66 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.814 HH21 ' HA3' ' A' ' 56' ' ' GLY . 6.5 ttm180 -127.74 89.71 2.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.5 -84.21 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.528 1.142 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 20.94 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -126.83 111.58 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.937 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.7 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.8 ptm180 -93.37 147.41 22.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.7 HD22 ' C ' ' A' ' 38' ' ' ARG . 3.4 mm? -138.2 161.13 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.952 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.6 m -144.19 107.2 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.952 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.88 -179.18 7.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.81 126.83 52.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -160.67 121.96 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CE1' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -89.91 161.55 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.05 -134.55 5.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.16 11.53 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.803 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 49' ' ' ASN . . . -163.13 93.94 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' GLY . . . -36.86 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' GLY . 13.1 m120 -89.54 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 178.26 78.24 0.06 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 6.2 t80 -43.31 150.24 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 m -127.76 147.01 61.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.02 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.3 m -61.21 132.03 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.814 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 91.79 -4.44 78.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -120.6 151.72 39.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.51 119.89 11.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.7 pt20 -36.72 126.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.483 ' C ' ' CG ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.483 ' CG ' ' C ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 167.51 163.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -57.12 159.2 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.314 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 8.4 tpp180 -105.6 89.73 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -41.6 114.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' SER . 4.2 m -117.01 166.35 12.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.41 107.38 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 m -117.72 156.97 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.7 160.17 16.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.8 -7.18 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.74 -34.1 3.99 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -152.71 68.66 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -179.97 -96.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.42 -176.17 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.43 128.36 49.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.25 171.81 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.4 m -92.41 134.36 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.78 158.86 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.64 89.75 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.24 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.778 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -124.49 166.19 16.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 64.6 m80 -114.09 -179.49 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -26.02 64.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -0.77 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.0 tp10 -130.58 156.48 44.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -136.13 171.35 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.778 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -151.91 173.73 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.311 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.788 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -65.54 92.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 29' ' ' PRO . 75.1 t -78.61 143.38 63.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.05 -171.08 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.13 152.97 24.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.663 ' OD1' HG23 ' A' ' 40' ' ' THR . 0.3 OUTLIER -119.54 106.13 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 4.4 m -89.27 125.01 34.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 14.9 p -123.16 149.17 44.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 4.1 tpm_? -157.31 126.25 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.2 -92.13 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.59 24.28 2.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.2 m -128.21 153.38 46.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 32.5 ttp180 -150.14 150.67 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -151.45 141.25 21.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.663 HG23 ' OD1' ' A' ' 31' ' ' ASP . 20.1 m -120.37 125.32 47.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.59 -169.9 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.0 m -122.42 113.46 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 m -161.48 130.22 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CE1' HD11 ' A' ' 27' ' ' LEU . 9.8 m-85 -131.18 -178.51 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.61 -88.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.06 149.69 45.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.51 -47.54 2.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -42.26 -44.14 4.86 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -130.78 84.74 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.56 -72.34 0.22 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.2 t80 -75.88 154.89 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -113.15 92.46 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.62 135.06 43.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.67 24.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -61.87 128.89 38.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 94.94 1.57 63.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.496 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 34.1 m-85 -128.87 144.37 51.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 110.964 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 15.3 ptm180 -142.8 128.35 19.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ARG . 14.0 pt20 -37.18 132.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -39.48 159.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.25 162.25 33.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.268 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 4.1 mtt180 -111.86 95.82 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -47.77 107.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.5 m -108.51 164.99 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.4 107.97 20.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.25 155.94 20.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.85 159.05 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.94 15.03 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.673 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . 83.8 -14.95 39.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.584 1.178 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.08 -131.48 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 0.721 . . . . 0.0 109.231 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.26 -25.6 21.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.231 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.947 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.41 155.36 29.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.54 131.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.671 HG22 ' H ' ' A' ' 17' ' ' SER . 1.7 p -148.8 -174.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.671 ' H ' HG22 ' A' ' 16' ' ' VAL . 1.3 m -101.66 134.8 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.06 28.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.0 t -94.09 86.2 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.565 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -115.96 157.18 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 m80 -103.81 178.59 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -27.89 65.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.95 2.12 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.48 155.66 40.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.75 124.94 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.565 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.3 p -109.05 178.32 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.386 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD23 ' HA2' ' A' ' 11' ' ' GLY . 7.9 tp -72.96 80.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.765 HG13 ' HD2' ' A' ' 29' ' ' PRO . 53.5 t -67.88 144.26 97.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.765 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.94 -168.28 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.71 152.16 24.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 6.8 m-20 -105.72 124.42 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.84 116.19 32.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.99 123.83 37.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.57 HH21 ' HA3' ' A' ' 56' ' ' GLY . 7.4 ttm180 -120.31 89.06 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.52 -84.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.91 26.47 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -136.2 105.46 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.37 149.17 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.573 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 2.0 mt -140.53 162.65 34.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -140.9 107.87 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.76 172.95 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.7 m -88.96 115.09 26.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -160.32 95.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 7.7 m-85 -103.79 168.45 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 46' ' ' GLU . . . -85.55 14.46 51.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 52.29 109.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 0.748 . . . . 0.0 110.28 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 31.71 45.06 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.45 -108.67 3.15 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -150.85 73.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.84 -120.01 5.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.5 t80 -111.94 161.77 16.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 0.802 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -150.52 75.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -47.6 151.48 1.46 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -60.52 134.27 56.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.57 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 85.82 -2.22 87.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 44.1 m-85 -123.59 153.2 41.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.8 ptm180 -150.03 125.98 10.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.2 pt20 -34.84 142.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 58.13 158.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.621 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 4.9 p -94.1 173.77 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 108.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 13.6 mmm180 -88.46 -144.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.68 114.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -141.83 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 27.6 mt -101.2 103.25 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.54 154.21 19.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 71.7 m -78.01 156.07 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 108.351 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -93.55 21.47 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.76 4.32 39.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.942 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.54 44.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.798 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER 79.57 -53.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' ASP . 22.1 mtmt -38.33 144.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.97 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.84 161.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -86.99 125.17 33.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.49 158.47 27.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 5.5 t -104.21 88.26 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 108.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.89 160.85 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.621 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -95.28 171.26 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.9 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.15 2.73 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -125.32 147.75 49.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -137.33 140.86 41.76 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.76 175.79 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.285 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 5.3 tp -65.9 89.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 29' ' ' PRO . 74.0 t -79.86 143.81 58.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.07 -169.57 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.61 152.2 24.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.11 109.15 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.2 m -88.96 110.86 21.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' ARG . 29.1 p -116.8 141.39 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -160.79 128.24 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.01 -95.46 0.28 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -139.2 26.73 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 p -135.08 140.81 45.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 28.3 ttp180 -144.51 150.37 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 4.1 tp -151.08 142.05 22.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.7 m -114.47 110.16 19.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.56 173.18 14.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.432 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -89.02 115.97 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.392 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -155.0 88.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 1.6 m-85 -100.7 168.49 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.6 -143.16 6.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -116.91 138.36 51.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.79 -55.24 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.55 -63.39 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -150.06 92.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -165.74 172.06 41.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -107.02 166.09 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 111.06 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -141.64 71.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.7 m -54.11 131.56 59.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.03 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 m -60.83 127.03 29.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . 95.96 4.21 60.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 40.5 m-85 -129.25 154.33 46.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' CYS . 3.3 tmt_? -145.29 111.38 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 3.7 pt20 -36.75 126.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 108.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.15 158.72 34.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.66 165.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' TYR . 20.7 mtp180 -106.3 61.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' ARG . 43.2 p90 -35.81 125.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.53 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' N ' ' OG1' ' A' ' 6' ' ' THR . 2.5 mp -105.37 114.65 28.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -121.45 164.0 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.939 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -109.53 148.34 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' OD2' HD12 ' A' ' 13' ' ' LEU . 3.3 t70 -89.3 -10.8 45.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' CA ' ' OH ' ' A' ' 44' ' ' TYR . . . 86.38 -25.79 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.95 83.59 1.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 0.746 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 165.69 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 179.1 133.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.939 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -54.15 140.42 32.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.15 163.27 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -93.14 131.04 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.28 157.46 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -93.08 82.4 4.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 108.364 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.64 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -97.46 158.3 15.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.17 -178.04 3.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.49 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' GLU . 2.2 p -78.82 -77.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 26.1 tp10 -35.96 153.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.3 t -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.072 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -139.53 174.66 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.43 94.13 6.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -80.16 143.58 56.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.7 Cg_endo -74.92 -171.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 161.94 28.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -109.53 111.41 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.0 m -89.58 125.86 35.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 136.33 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -133.8 114.25 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.45 -94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -127.3 43.63 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -149.3 162.49 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -147.44 147.99 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.687 HD21 ' HE2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -151.3 143.81 24.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.94 ' O ' HD23 ' A' ' 41' ' ' LEU . 19.7 m -116.04 121.79 43.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.94 HD23 ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.52 -175.81 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 29' ' ' PRO . 5.2 m -113.42 123.96 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.04 142.48 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' OH ' ' CA ' ' A' ' 11' ' ' GLY . 30.1 m-85 -101.0 172.52 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 52' ' ' GLN . . . 178.01 73.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -179.72 155.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.56 48.33 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.53 -104.13 0.17 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' N ' ' OE1' ' A' ' 46' ' ' GLU . 5.3 m-80 -151.35 105.25 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.12 168.09 41.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 71.5 t80 -98.17 149.16 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HA3' ' A' ' 45' ' ' GLY . 2.8 tp60 -150.58 155.6 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 152.88 43.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.21 27.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m -64.75 127.76 32.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.22 -5.38 61.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.687 ' HE2' HD21 ' A' ' 39' ' ' LEU . 42.6 m-85 -113.87 177.32 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -147.61 -179.99 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.03 122.81 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.74 156.68 46.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 42.4 t -43.74 140.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 108.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 22' ' ' GLU . 0.9 OUTLIER -89.45 -146.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 84.6 t80 -178.15 106.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -140.65 166.56 24.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.88 99.62 11.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.19 161.15 13.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -99.08 144.32 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -13.56 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.14 -25.06 7.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 70.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 177.45 -93.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -178.06 132.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -45.17 124.69 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.27 163.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 1.3 p -74.09 133.67 42.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.88 157.54 45.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 109.24 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 t -107.6 108.32 19.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -128.46 158.29 38.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 18.8 m-70 -93.18 170.45 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.28 -31.72 71.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.88 3.66 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.927 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -124.12 152.87 42.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 129.45 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.3 p -106.46 176.27 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 108.252 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 44' ' ' TYR . 3.6 tp -68.9 76.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.932 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -74.0 149.5 87.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.932 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 -169.46 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 51' ' ' PHE . . . -148.36 140.1 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 5.1 m-20 -89.23 107.0 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.05 121.56 32.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 8.5 m -104.55 143.96 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.647 HH21 ' HA2' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -150.61 126.84 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.31 -99.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -127.83 51.41 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -157.79 156.32 31.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -149.65 146.51 27.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.819 HD13 ' CD1' ' A' ' 41' ' ' LEU . 2.3 pp -151.93 150.29 29.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -114.07 114.06 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.819 ' CD1' HD13 ' A' ' 39' ' ' LEU . 4.8 mt -142.79 -175.22 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 73.6 m -111.32 124.45 52.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 31.8 t -155.85 90.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 42' ' ' CYS . 1.2 m-85 -105.68 165.91 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.76 143.08 13.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -53.08 150.72 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.293 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.84 79.95 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.56 109.7 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -88.52 72.24 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . -163.24 139.88 6.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 13.2 t80 -36.62 151.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -133.56 108.84 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.42 135.86 46.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -75.01 176.39 9.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -61.3 131.02 49.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.647 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 92.32 -1.43 73.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.465 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.9 m-85 -123.23 153.89 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 6.9 ptp180 -147.74 123.21 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -36.79 140.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.372 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 31' ' ' ASP . 34.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 2' ' ' ARG . 62.3 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER 57.7 158.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 3.0 p 164.13 168.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -108.08 95.83 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 98.9 m-85 -52.13 132.65 33.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -142.84 163.49 32.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -96.7 116.59 29.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.9 m -126.33 165.26 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.803 ' CB ' HD23 ' A' ' 27' ' ' LEU . 4.1 m -85.06 159.12 20.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -100.14 42.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.542 ' CA ' HD22 ' A' ' 27' ' ' LEU . . . 91.01 -23.93 21.14 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.85 -133.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.68 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.1 tm? -92.6 -32.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG3' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -50.3 101.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.69 129.92 34.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.12 154.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 133.83 33.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.29 163.83 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 4.2 t -116.57 97.68 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.527 HD22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 mp -116.81 156.72 26.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -90.49 173.6 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.46 -32.3 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.45 2.9 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -124.5 157.2 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.66 137.91 21.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -111.29 173.09 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' CB ' ' A' ' 9' ' ' CYS . 4.5 tp -58.86 84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.726 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.0 t -78.06 143.52 65.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.726 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.93 165.73 29.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 17.4 m-20 -108.12 125.56 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 0.714 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 m -106.93 117.3 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.2 131.94 46.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tmm_? -133.13 126.95 32.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 39.38 -94.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ARG . 15.5 pttp -127.49 54.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -158.56 159.14 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.907 ' C ' HD22 ' A' ' 39' ' ' LEU . 6.7 tmm_? -134.96 150.53 50.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.907 HD22 ' C ' ' A' ' 38' ' ' ARG . 3.6 mm? -141.59 162.1 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.965 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.5 m -143.38 103.78 4.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.965 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -151.09 -172.41 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.5 m -108.52 132.26 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.5 t -161.51 99.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 27' ' ' LEU . 6.4 m-85 -103.26 177.04 4.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.82 -131.89 2.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 3.3 pm0 -123.04 130.59 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.33 -67.55 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.64 -75.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -150.05 102.89 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.816 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.25 165.93 36.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.406 1.066 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 2.1 t80 -83.17 160.23 21.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.764 . . . . 0.0 111.068 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.9 OUTLIER -143.47 71.43 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -45.58 153.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -63.85 129.33 39.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 110.418 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -11.26 67.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 63.4 m-85 -107.13 166.37 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -150.76 124.13 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 7.8 mt-30 -39.32 127.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mtm-85 -147.25 155.57 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t 65.84 135.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -95.32 77.67 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.559 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 93.7 m-85 -50.73 117.51 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -131.65 162.73 29.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.408 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.06 118.87 29.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.6 m -130.36 166.81 19.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 2.2 m -102.1 148.19 25.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.6 -6.49 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.17 -32.92 4.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -151.73 88.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 169.01 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.6 123.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -37.04 119.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -130.2 -169.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.723 ' N ' HG13 ' A' ' 16' ' ' VAL . 22.2 p -88.46 153.71 20.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.24 152.81 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 6.1 t -114.0 93.23 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 19' ' ' CYS . 6.2 mp -128.48 160.5 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -90.98 -177.97 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.45 -30.07 70.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -79.55 -78.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.5 tp10 -38.36 151.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.413 ' N ' HD23 ' A' ' 20' ' ' LEU . 1.3 m -140.61 164.86 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.59 170.86 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.345 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 6.4 tp -69.1 91.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -65.97 143.4 98.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.88 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.448 1.762 . . . . 0.0 111.074 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.64 140.7 8.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.17 118.83 37.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -99.99 115.54 29.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.253 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -95.29 122.61 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.167 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LYS . 5.8 ttp180 -114.55 108.44 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.49 -86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.88 38.6 3.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 1.3 m -143.99 165.26 28.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 41.9 ttp180 -134.21 150.87 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 57' ' ' TYR . 20.4 mt -146.15 103.93 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.1 m -93.39 110.22 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.48 172.05 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.7 m -89.06 115.24 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.33 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.558 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 16.5 t -159.04 95.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 1.4 m-85 -89.88 163.41 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.38 -24.85 1.09 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.71 9.05 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.28 -105.62 0.66 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 47.25 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -146.44 55.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.13 -106.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 15.5 t80 -112.19 152.68 28.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.35 125.13 9.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.27 153.89 76.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 108.27 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.97 175.85 10.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 m -62.72 134.04 55.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.79 -4.73 84.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 47.1 m-85 -116.45 149.73 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLN . 14.1 ptm180 -145.42 125.4 13.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -37.59 127.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -87.87 164.52 15.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 80.32 157.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 93.89 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.43 123.23 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -135.56 168.75 18.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -106.55 133.79 50.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.0 m -133.99 164.71 26.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 108.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -106.54 147.48 29.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 108.257 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -13.75 38.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.03 -25.38 6.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 71.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 173.35 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -172.05 153.89 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.622 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -72.32 119.37 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -120.82 176.44 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -107.48 149.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.67 164.3 36.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 t -89.77 87.09 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.751 HD23 ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -92.96 172.81 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 51.3 m80 -132.26 -177.23 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -51.75 -36.52 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.46 12.22 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.751 ' CG ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -33.77 142.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.3 p -151.79 91.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 6.2 p -145.66 -178.11 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.4 tp -91.71 86.71 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.954 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -75.93 150.23 83.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.954 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.08 -173.0 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.604 1.844 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' CA ' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.71 157.22 27.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 109.78 21.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 29.5 m -89.45 117.83 28.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.09 119.6 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.34 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.785 HH21 ' HA3' ' A' ' 56' ' ' GLY . 7.1 ttm180 -113.06 88.92 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.42 -78.83 0.12 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.33 24.2 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -134.59 104.59 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -94.51 144.45 25.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.038 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -146.24 129.25 16.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 19.2 m -106.37 114.07 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.038 HD23 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.65 175.01 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.1 m -99.3 115.4 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.7 p -157.55 94.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -106.42 174.55 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . 166.45 -152.6 21.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -37.35 133.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 0.775 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.55 108.39 1.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.29 46.23 3.6 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -103.13 27.48 7.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 -85.23 1.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -95.19 163.9 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 46' ' ' GLU . 38.7 tp60 -146.6 73.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -53.76 129.5 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.247 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -176.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.96 134.69 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.785 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 87.85 -3.68 85.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 41.7 m-85 -122.37 147.57 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -145.02 123.12 12.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.0 mt-30 -37.12 126.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 143.12 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -179.53 161.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -101.32 66.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 82.8 m-85 -36.91 118.53 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.52 172.47 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.7 mp -90.17 122.38 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.0 m -139.01 170.58 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -100.85 128.19 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 108.331 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -10.83 43.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.81 10.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -148.98 87.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 7.1 tp 153.85 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 96.84 135.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.923 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -37.56 117.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.56 HG22 ' H ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -145.0 -176.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.56 ' H ' HG22 ' A' ' 16' ' ' VAL . 14.4 m -79.26 144.59 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 158.69 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 46.3 t -109.29 91.68 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -113.69 166.9 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 20' ' ' LEU . 1.4 m-70 -106.16 170.98 7.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -30.16 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 1.54 21.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 1.8 tp10 -129.12 152.7 48.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 164.7 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.718 ' SG ' HD22 ' A' ' 20' ' ' LEU . 1.2 p -137.42 178.88 6.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.3 tp -93.4 98.02 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.767 HG13 ' HD2' ' A' ' 29' ' ' PRO . 57.0 t -69.13 144.16 94.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.767 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.589 1.836 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.69 153.21 25.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.19 109.53 20.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 5.2 m -88.98 120.61 30.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -107.83 137.08 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.253 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.707 HH21 ' HA2' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -142.61 127.44 18.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.02 -97.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -130.82 47.89 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -153.32 156.45 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.9 ttp180 -143.39 150.37 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.007 HD21 HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -150.5 133.54 16.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.9 m -111.63 112.41 24.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.407 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.007 HD23 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.16 171.21 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.923 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 4.0 m -89.49 118.91 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.9 m -153.71 109.14 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -89.62 161.55 16.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -114.74 -96.78 2.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 1.5 pt-20 -38.42 154.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.79 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.98 50.87 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.598 1.187 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.41 -83.52 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 13.9 t30 -142.3 -154.89 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.65 158.84 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 23.5 t80 -113.11 149.58 33.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -140.35 -177.3 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -122.13 139.48 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.223 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.98 175.77 10.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -61.14 130.92 48.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.707 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 90.41 -1.56 79.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.0 m-85 -123.25 155.63 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -148.37 120.53 8.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 5.9 tt0 -36.95 137.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -110.06 155.73 21.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 173.94 150.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.327 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -103.27 89.45 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.201 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -51.88 113.94 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -125.88 163.09 23.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.17 109.24 20.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 m -105.54 158.64 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.04 155.15 19.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -15.19 34.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 27' ' ' LEU . . . 86.07 -26.55 6.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.98 60.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 179.92 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmmt -150.68 -176.66 5.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.45 117.15 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.585 HG22 ' H ' ' A' ' 17' ' ' SER . 6.3 p -116.93 173.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.585 ' H ' HG22 ' A' ' 16' ' ' VAL . 11.9 p -87.65 149.98 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.03 158.6 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.21 91.63 3.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.323 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 158.24 26.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 33.9 m-70 -98.48 173.95 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -66.31 -31.36 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.05 2.37 20.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -125.66 146.6 49.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 146.94 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.935 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -127.81 178.37 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.6 tp -64.93 75.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.608 HG22 ' HD2' ' A' ' 29' ' ' PRO . 2.9 p -65.57 142.09 98.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.608 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.01 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.09 156.85 27.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.5 m-20 -106.54 125.2 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 16.0 m -102.73 122.25 44.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 0.7 OUTLIER -96.37 132.1 42.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 6.2 ttm180 -131.21 89.07 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.24 -83.01 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.396 1.06 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -137.09 22.16 3.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -128.58 118.79 23.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -97.0 147.65 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -140.23 159.61 41.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.945 ' O ' HD23 ' A' ' 41' ' ' LEU . 7.6 m -138.27 114.53 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.45 -172.29 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -110.46 122.16 47.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 108.209 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -160.71 115.36 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 44.3 m-85 -116.06 179.34 4.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.58 -148.86 5.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.36 9.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.3 59.55 2.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.38 -70.93 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -106.28 36.09 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.77 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.39 -75.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -85.77 161.16 19.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.13 66.44 1.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.2 m -50.59 151.53 4.0 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.02 167.95 25.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.2 m -63.54 126.2 26.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.84 -5.74 53.98 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 43.3 m-85 -114.3 176.71 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -147.12 -175.02 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.36 124.47 35.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' O ' ' CD2' ' A' ' 21' ' ' HIS . 2.1 mtm180 -81.83 156.31 24.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -144.73 161.98 37.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.6 mtm-85 -103.86 77.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 p90 -46.61 117.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.0 m -130.66 166.39 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 112.54 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.1 m -111.56 163.08 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 3.0 m -103.17 132.89 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -105.21 21.7 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.62 26.98 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -127.49 -126.87 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -37.71 -65.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 177.6 176.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -57.4 119.44 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -121.62 155.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -73.08 151.4 41.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 153.58 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -99.37 86.33 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.774 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -112.36 166.17 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.651 ' O ' HD12 ' A' ' 20' ' ' LEU . 69.2 m80 -118.45 -179.29 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.574 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -25.42 64.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -1.33 36.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -131.76 155.72 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 134.92 17.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.774 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -117.65 170.37 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 9.4 tp -63.49 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 29' ' ' PRO . 76.2 t -68.46 143.41 95.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 -167.8 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -148.79 150.62 22.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.563 1.164 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.1 m-20 -107.15 121.99 45.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' CB ' ' CD2' ' A' ' 57' ' ' TYR . 5.0 m -97.28 116.64 29.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.6 m -114.31 141.26 47.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 108.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -153.31 114.79 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.34 -98.41 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 24.46 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 m -123.92 153.22 41.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 42.0 ttp180 -147.31 152.26 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.679 HD22 ' OH ' ' A' ' 57' ' ' TYR . 1.6 tp -150.49 160.89 43.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.944 ' O ' HD23 ' A' ' 41' ' ' LEU . 35.2 m -139.87 110.09 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.85 -169.41 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.58 122.63 45.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 108.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -160.16 92.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -101.88 173.08 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.02 36.14 3.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 59.6 151.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.642 0.848 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.88 -49.7 4.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.95 72.87 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -135.6 -154.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.26 -158.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.404 1.065 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -95.88 162.78 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 111.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.46 70.49 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -48.07 135.99 11.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.01 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.413 1.744 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.55 123.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 99.37 -7.05 59.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.679 ' OH ' HD22 ' A' ' 39' ' ' LEU . 5.5 m-30 -114.26 150.96 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.324 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 4.6 pt20 -35.39 136.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.047 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -93.69 163.94 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 1.0 OUTLIER 162.85 147.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 6' ' ' THR . 16.1 tpp180 -102.42 69.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.569 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 92.3 m-85 -46.17 117.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -143.57 173.7 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.1 mt -98.51 119.82 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.34 161.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -100.78 132.73 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 12' ' ' ALA . 69.1 m-20 -118.93 32.21 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.06 27.01 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 10' ' ' ASP . . . -103.13 -129.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.961 HD13 ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.07 -37.11 86.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.961 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER 172.03 -169.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 116.23 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.24 146.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 150.87 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.64 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 5' ' ' TYR . 5.5 t -113.11 95.98 5.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -126.67 167.38 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m170 -113.18 -179.84 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -26.02 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -0.99 33.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.939 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -130.53 157.62 42.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 159.62 41.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.733 ' SG ' HD22 ' A' ' 20' ' ' LEU . 1.1 p -138.37 176.75 8.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD21 ' CE2' ' A' ' 44' ' ' TYR . 1.2 tp -73.89 85.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.6 p -69.79 143.21 91.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.6 Cg_endo -74.92 -172.59 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.46 152.82 24.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -107.0 110.25 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.787 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' O ' HD23 ' A' ' 39' ' ' LEU . 16.3 m -89.17 121.02 31.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 108.277 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 129.22 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.1 ttp180 -127.6 101.34 6.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.12 -81.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.573 1.171 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -140.6 24.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -132.32 112.66 12.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -103.31 145.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.234 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 32' ' ' CYS . 1.4 pt? -150.25 137.98 19.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -107.93 119.04 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -150.44 169.2 22.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.544 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 m -90.13 120.43 31.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -154.74 126.44 7.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.997 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.639 ' CE2' HD21 ' A' ' 27' ' ' LEU . 1.9 m-85 -89.51 165.49 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.09 125.22 0.75 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -82.72 139.18 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.83 -47.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.35 -86.94 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -144.15 73.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.76 -60.15 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 43' ' ' SER . 2.4 t80 -86.83 149.17 25.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 0.724 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.3 tt0 -143.63 -176.86 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.74 145.55 34.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.244 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.0 178.05 7.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 t -61.6 135.7 57.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.09 -4.77 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 42.9 m-85 -119.37 153.57 34.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.7 tmt_? -147.49 122.36 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.4 mt-30 -37.56 130.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -122.31 156.0 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.624 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 63.22 158.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 6' ' ' THR . 14.9 mtm180 -118.89 99.72 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -46.15 116.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.4 m -128.56 166.1 19.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -108.94 117.83 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 m -118.9 157.61 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 m -75.57 149.78 38.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LYS . 9.9 m-20 -94.36 29.36 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.22 3.11 44.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.16 45.92 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 71.09 -54.48 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 1.012 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.46 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.72 122.98 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.5 144.44 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.4 p -84.82 135.27 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.32 157.85 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -93.64 82.38 4.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.168 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.533 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -102.79 157.4 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.624 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 86.3 m-70 -106.28 -179.67 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.544 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.22 1.75 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.94 156.36 39.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.3 p -148.27 147.45 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -136.03 172.47 12.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.899 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -66.91 93.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' ' 29' ' ' PRO . 69.5 t -81.51 143.87 52.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.226 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.749 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 -169.6 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.599 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 150.26 22.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.664 ' CG ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -114.42 102.57 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 3.2 m -89.43 121.57 31.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -120.76 148.53 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.38 120.62 4.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.01 -88.18 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.2 26.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -131.12 121.3 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -122.66 148.12 45.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 tp -150.69 132.92 15.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.664 HG23 ' CG ' ' A' ' 31' ' ' ASP . 10.0 m -115.0 112.69 23.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -152.02 171.63 17.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' LEU . 32.5 m -94.3 124.58 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 108.235 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 t -160.13 109.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.899 ' CE1' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -95.3 164.29 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.68 172.72 20.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' GLY . 2.4 mm-40 63.1 8.21 3.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.09 45.7 0.89 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.73 -107.11 3.05 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.24 45.43 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 0.813 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.8 22.88 1.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.599 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 5.3 t80 -137.49 152.44 49.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' SER . 4.0 tp60 -148.44 90.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 60.4 m -60.5 147.25 83.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.36 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.0 167.83 26.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -63.43 130.93 46.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 92.24 -1.27 73.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 43.6 m-85 -124.8 147.07 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 0.803 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.3 ptp180 -145.92 129.28 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -37.34 131.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 108.356 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' CYS . 4.0 mmm180 -129.33 164.05 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -41.54 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -107.12 88.76 2.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -49.23 115.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' SER . 1.7 m -120.82 162.74 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.26 101.43 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.5 m -111.31 164.52 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -90.38 155.88 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.358 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.606 ' OD2' HD23 ' A' ' 13' ' ' LEU . 7.7 m-20 -89.25 -11.71 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -35.77 4.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.85 67.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.606 HD23 ' OD2' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -178.9 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -178.37 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.64 117.66 30.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -117.97 178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -96.27 116.39 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.97 151.03 25.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -99.06 84.4 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.51 ' CD2' ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -117.41 158.64 24.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -95.14 175.01 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.03 -31.18 71.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.38 3.44 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.7 tp10 -122.94 154.8 37.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.04 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.61 169.5 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.259 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD21 ' HE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -63.34 93.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.359 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG13 ' HD2' ' A' ' 29' ' ' PRO . 1.2 t -78.85 150.56 75.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.12 147.0 17.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -108.19 104.6 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 1.3 m -89.85 124.76 34.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.69 143.61 31.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.36 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -141.45 103.37 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.401 1.063 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -85.79 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -141.09 24.09 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -132.88 123.73 26.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 110.055 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.8 ttp180 -105.95 152.68 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.744 HD21 HD12 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.23 125.95 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.72 ' O ' HD23 ' A' ' 41' ' ' LEU . 7.2 m -109.6 120.42 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 HD21 ' A' ' 39' ' ' LEU . 30.8 mt -150.96 -179.84 7.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 m -109.49 119.36 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.353 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -160.8 141.48 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HE1' HD21 ' A' ' 27' ' ' LEU . 58.8 m-85 -100.5 175.63 5.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 52' ' ' GLN . . . -115.89 64.51 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.58 10.31 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.06 73.76 1.1 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.37 -64.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.18 39.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.25 -107.21 0.27 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 86.4 t80 -83.15 149.48 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -141.83 -157.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.77 171.85 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.06 172.33 16.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.477 1.778 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 m -62.72 126.23 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.41 -10.06 46.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.49 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 3.4 m-85 -107.77 117.49 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -132.03 124.74 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.8 tt0 -33.7 137.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -47.76 169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -41.58 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' TYR . 44.3 ttp180 -95.66 73.19 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.0 m-85 -36.26 122.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -139.16 172.87 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.4 mm? -95.08 117.75 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.3 m -121.46 161.98 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.273 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 34.7 m -105.06 146.74 28.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.335 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.45 -7.28 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.25 -32.6 4.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.39 84.3 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.582 0.813 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER 173.33 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -177.1 122.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -39.09 117.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 17' ' ' SER . 8.9 p -129.02 173.03 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 16' ' ' VAL . 23.5 m -72.17 151.8 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.25 157.8 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -111.09 92.96 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -128.33 158.3 38.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.637 1.211 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 68.7 m80 -104.14 -179.65 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -26.87 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.76 1.48 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -127.12 151.5 48.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -136.84 127.54 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.546 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -106.9 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.264 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' HE1' ' A' ' 44' ' ' TYR . 2.0 tm? -78.12 95.81 5.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.746 HG22 ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -82.67 143.9 47.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.746 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.04 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -147.99 146.31 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 0.0 111.065 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -106.77 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 5.1 m -92.2 124.41 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.1 p -118.01 146.99 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.311 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -158.96 127.81 5.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.11 -90.19 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 27.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 p -140.46 138.0 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 32.1 ttp180 -141.32 151.64 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.3 150.19 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -117.17 126.84 53.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 39' ' ' LEU . 85.9 mt -150.69 -176.43 5.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.23 116.43 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 6.7 m -159.92 135.77 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' HE1' HD11 ' A' ' 27' ' ' LEU . 23.5 m-85 -98.13 174.53 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.46 160.19 29.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 61.37 9.82 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.42 80.4 1.28 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.13 50.32 6.35 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.49 29.59 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.4 -145.12 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.574 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 87.4 t80 -115.07 149.02 38.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -120.06 -171.44 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.7 m -143.13 144.57 29.23 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.99 166.06 30.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -62.4 128.47 36.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.3 0.79 58.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 46.5 m-85 -126.21 159.36 33.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -145.7 118.47 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -36.83 128.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.341 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -147.88 158.05 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 68.82 154.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 108.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -114.47 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -43.99 123.06 3.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 1.9 m -128.38 163.26 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.0 mt -90.73 114.14 26.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 18' ' ' ALA . 10.3 m -108.75 156.93 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.39 159.96 14.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -89.7 15.28 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 27' ' ' LEU . . . 82.54 -12.75 44.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.39 -131.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.8 -24.61 21.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.914 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.54 163.69 15.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.27 129.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.643 HG22 ' H ' ' A' ' 17' ' ' SER . 8.8 p -138.86 175.25 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.643 ' H ' HG22 ' A' ' 16' ' ' VAL . 31.1 t -92.9 155.9 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . -149.17 162.03 40.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.47 93.78 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' CG ' ' A' ' 24' ' ' GLU . 5.7 mp -120.53 158.82 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 55.0 m80 -98.03 -179.84 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.65 0.75 28.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.8 tp10 -127.87 153.99 46.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.26 133.26 16.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -111.11 177.99 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.363 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -65.78 73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.621 HG23 ' HD2' ' A' ' 29' ' ' PRO . 4.4 p -62.17 141.79 95.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.07 149.53 21.54 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.115 . . . . 0.0 111.076 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.52 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -108.95 115.24 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 m -89.71 114.17 25.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -114.76 141.47 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -152.47 125.9 8.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.13 -98.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -123.49 51.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 t -153.88 153.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 6.7 tmm_? -150.25 150.07 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 10.3 tp -151.12 162.46 40.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.959 ' O ' HD23 ' A' ' 41' ' ' LEU . 38.9 m -138.3 113.84 9.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.959 HD23 ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.43 -173.78 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -106.95 117.68 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.615 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 13.9 m -160.32 115.86 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.5 m-85 -112.67 179.44 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.04 52.35 3.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 59.84 10.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.24 -104.1 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.39 54.84 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -118.18 84.89 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.41 -110.68 0.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 43' ' ' SER . 1.5 t80 -135.5 160.81 37.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -129.72 64.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -49.42 137.62 16.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.4 6.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.23 132.93 55.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 82.86 6.11 88.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 32.6 m-85 -131.68 144.14 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -143.53 123.35 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -36.24 141.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -112.51 96.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -48.2 109.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.2 m -112.41 164.29 13.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.44 108.45 20.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -127.98 165.73 19.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.833 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 11.5 m -103.44 149.53 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.07 -11.14 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -27.94 6.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 13' ' ' LEU . . . -150.77 79.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER 173.19 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 174.59 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.833 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -50.09 125.96 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG22 ' H ' ' A' ' 17' ' ' SER . 1.4 p -143.8 -175.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -98.5 132.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.18 158.81 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.67 85.11 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.726 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -118.43 156.73 28.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.42 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 26.9 m-70 -95.7 172.08 8.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -30.77 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 2.92 17.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.566 ' O ' HD11 ' A' ' 20' ' ' LEU . 1.3 tt0 -124.26 150.37 45.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.2 p -126.71 170.17 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.726 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -153.2 170.7 19.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -67.12 93.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.707 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.3 t -70.64 143.51 89.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.08 -172.37 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.77 142.93 10.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -102.73 110.26 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.7 m -89.25 126.02 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.19 132.27 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.492 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 5.3 ttm180 -127.78 91.07 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.69 -81.73 0.16 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -139.47 23.19 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 m -130.61 118.02 20.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.97 148.59 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 13.4 tp -147.6 144.61 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -118.8 118.12 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.35 174.86 10.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.07 116.68 32.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 5.1 m -160.5 128.28 4.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.602 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -90.44 167.01 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 12.6 t80 . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.484 0.183 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.61 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -128.93 177.77 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.1 m -119.67 156.34 53.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 167.38 27.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.5 m -63.82 129.06 38.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.68 -5.12 64.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 36.0 m-85 -115.81 174.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -144.62 -177.94 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.97 133.77 34.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB3' ' NE2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -112.31 85.35 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.84 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.08 161.11 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.628 1.205 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 16' ' ' VAL . 3.1 mm? -94.14 124.38 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 26.1 m -116.14 158.85 22.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.306 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -110.21 142.51 41.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.51 -7.11 55.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.12 -32.99 4.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -151.77 81.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 176.34 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.4 121.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -40.38 122.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.455 ' C ' HD13 ' A' ' 7' ' ' LEU . 7.2 p -122.21 148.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' HD13 ' A' ' 7' ' ' LEU . 6.0 p -68.89 151.51 46.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.13 147.94 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t -94.61 82.01 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.812 HD22 ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp -109.83 156.7 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 3' ' ' CYS . 63.2 m80 -105.9 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.39 -27.52 67.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.31 0.42 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -129.14 151.06 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -150.22 136.13 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.812 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -123.18 173.72 7.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 108.262 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 44' ' ' TYR . 6.7 tp -64.81 77.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.626 HG22 ' HD2' ' A' ' 29' ' ' PRO . 3.1 p -65.67 142.56 98.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.626 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.05 -168.09 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.416 1.745 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.02 146.75 16.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -106.3 104.4 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 11.3 m -87.94 112.29 22.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.75 143.81 46.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.246 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.2 127.63 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.75 -88.86 0.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.598 1.186 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.42 29.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.2 m -135.2 122.03 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -120.01 147.9 44.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.847 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.95 132.01 14.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -111.28 110.65 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.847 HD23 HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.68 177.75 10.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.409 ' H ' HD12 ' A' ' 41' ' ' LEU . 1.6 m -89.15 116.64 27.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -147.06 100.25 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.034 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 1.3 m-85 -97.01 163.1 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 45.7 t80 . . . . . 0 N--CA 1.454 -0.241 0 CA-C-O 120.528 0.204 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 150.48 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 20.7 m -115.49 123.61 31.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 108.271 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -60.94 135.16 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.43 0.91 86.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 35.9 m-85 -127.18 144.94 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 0.803 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.7 mtp180 -139.75 109.51 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -35.14 125.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 21' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -112.9 91.92 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.8 p90 -36.08 98.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -107.8 148.31 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.6 120.57 24.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -134.61 169.04 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.849 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.8 m -110.11 143.87 39.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.355 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.12 -13.23 38.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.84 -24.28 7.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 74.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.56 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.5 117.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -36.46 125.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 17' ' ' SER . 4.9 p -145.17 178.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.689 ' H ' HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -87.56 136.21 33.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.028 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.96 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.36 78.77 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.47 157.65 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 39.2 m-70 -97.46 174.36 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.06 3.26 17.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.178 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.34 151.34 42.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 139.96 38.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.75 171.84 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.528 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -72.48 90.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.8 t -63.34 143.62 97.72 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.1 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.03 146.52 16.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -104.6 126.76 51.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 70.7 m -101.63 124.0 46.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 108.276 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 131.5 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.683 ' CZ ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 ttm180 -132.2 92.22 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.51 -84.98 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.96 23.4 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -128.34 122.49 31.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.763 ' O ' HD22 ' A' ' 39' ' ' LEU . 1.9 ptm180 -96.96 147.12 24.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.763 HD22 ' O ' ' A' ' 38' ' ' ARG . 4.1 mm? -137.55 161.97 34.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.951 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.9 m -142.6 115.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.36 177.99 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.7 118.93 37.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 108.288 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -157.08 104.33 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -98.2 160.23 14.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.094 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 92.3 t80 . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.469 0.176 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.596 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -119.58 -169.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 1.7 m -152.61 155.18 32.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 167.52 26.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 127.02 29.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.02 -5.56 59.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CE1' ' CZ ' ' A' ' 34' ' ' ARG . 38.6 m-85 -112.4 168.73 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 0.732 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 mmp_? -136.59 -167.1 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -98.58 123.09 42.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.77 79.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 5' ' ' TYR . 7.3 p90 -48.92 116.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.3 m -127.09 164.28 21.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.443 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.4 114.09 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.5 m -123.1 167.54 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.26 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.6 m -101.1 147.95 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -15.1 34.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.79 -25.24 6.8 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.416 1.072 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.78 72.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 175.02 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 177.7 133.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.32 129.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 17' ' ' SER . 2.0 p -143.45 -172.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.709 ' H ' HG22 ' A' ' 16' ' ' VAL . 16.1 m -92.2 146.76 23.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.959 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 5' ' ' TYR . . . -140.93 147.75 39.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.26 89.5 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.867 HD22 ' SG ' ' A' ' 26' ' ' CYS . 4.4 mp -121.02 153.96 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -91.96 175.46 6.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.593 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -31.27 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.26 2.89 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.073 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -125.46 154.32 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -150.13 138.2 20.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 110.042 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.867 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -118.6 167.81 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.651 ' CD2' ' CZ ' ' A' ' 44' ' ' TYR . 10.5 tp -60.46 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.592 HG23 ' HD2' ' A' ' 29' ' ' PRO . 6.2 p -72.93 141.87 82.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.592 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.06 -171.12 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.83 138.87 7.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -97.07 108.64 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . 55.1 m -90.44 119.98 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -110.13 141.69 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 108.242 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 56' ' ' GLY . 4.8 tpm_? -150.98 121.9 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -87.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -145.01 27.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -135.88 120.27 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.99 146.79 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.975 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.65 150.83 31.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -113.66 118.88 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.975 HD23 HD21 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.32 170.9 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.59 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 m -90.14 119.84 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -149.42 88.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.651 ' CZ ' ' CD2' ' A' ' 27' ' ' LEU . 1.1 m-85 -89.79 163.83 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 32.7 t80 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.5 0.19 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -148.67 116.69 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 2.6 m -78.17 135.57 62.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.1 Cg_endo -75.1 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -61.49 127.11 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.504 ' O ' ' CD ' ' A' ' 34' ' ' ARG . . . 100.17 -1.17 56.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 38.6 m-85 -121.62 158.86 27.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -140.53 101.01 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 pt20 -37.62 126.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.411 ' O ' ' OG1' ' A' ' 6' ' ' THR . 2.1 tpm_? -109.19 80.79 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 19.2 p90 -44.2 122.99 3.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 3.9 m -133.14 166.12 23.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.29 129.87 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 70.9 m -140.78 165.04 28.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.3 160.31 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -87.58 -16.09 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -38.29 3.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . -152.9 72.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.477 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 6.6 tp -178.86 -99.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 13' ' ' LEU . 20.2 mmtt -145.09 -179.0 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.182 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.84 120.42 40.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -122.99 174.08 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 16' ' ' VAL . 33.8 t -93.18 152.29 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.067 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 5' ' ' TYR . . . -147.91 158.71 44.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 6.7 t -109.47 91.32 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.12 155.47 29.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 8.1 m170 -93.26 177.64 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.65 -30.32 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.32 1.99 23.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -127.05 153.26 46.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.47 137.86 19.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.462 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -113.03 170.58 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.8 HD21 ' CE2' ' A' ' 44' ' ' TYR . 7.0 tp -60.84 87.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.79 HG13 ' HD2' ' A' ' 29' ' ' PRO . 54.4 t -77.15 144.6 71.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.79 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.582 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.12 156.97 27.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.539 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -102.57 117.85 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.2 m -92.07 118.6 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.72 130.63 36.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' LYS . 10.2 ttp180 -131.29 102.33 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.04 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 17.8 ptmt -130.93 45.55 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -156.52 122.67 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -98.26 147.11 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 1.1 tt -139.16 162.01 36.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -134.97 114.03 12.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.92 169.34 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 41' ' ' LEU . 64.0 m -100.22 127.19 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.81 105.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.077 . . . . 0.0 110.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.8 ' CE2' HD21 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -103.31 159.3 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.928 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.582 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 38.7 t80 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.551 0.215 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -140.77 150.87 43.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.6 150.43 45.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.05 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -62.4 132.13 51.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.366 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.68 -6.52 82.06 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 52.6 m-85 -115.87 157.05 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.3 mpp_? -150.47 125.35 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -35.78 140.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 108.348 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.2 ttp180 -112.34 96.01 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.98 115.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.3 m -122.14 164.76 17.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.6 107.78 18.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.4 162.64 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.76 152.59 22.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 108.358 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -105.56 7.56 32.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -24.69 6.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -89.74 44.72 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 mm? 31.9 54.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.12 78.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.7 137.8 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.54 164.46 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -88.34 130.89 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.94 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.87 83.33 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -113.53 158.82 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.27 172.03 8.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -32.23 73.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.04 2.68 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HB3' HD23 ' A' ' 20' ' ' LEU . 12.6 tt0 -123.06 147.0 47.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.25 151.16 51.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.54 170.47 14.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.783 HD21 ' CE1' ' A' ' 44' ' ' TYR . 3.5 tt -60.28 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -80.99 148.07 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.39 142.06 9.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.95 100.39 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.9 m -89.18 118.82 29.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 139.12 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 108.347 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 35' ' ' GLY . 2.5 tmm_? -137.96 126.26 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 50.48 -93.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -132.5 48.46 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -151.42 154.89 37.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 37.6 ttp180 -132.94 151.79 52.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 53.1 tp -150.03 110.56 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 m -101.47 102.02 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.86 169.4 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' LEU . 67.2 m -90.94 134.68 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 108.396 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.5 116.01 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.783 ' CE1' HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -92.54 161.67 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 66.1 t80 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.557 0.217 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -149.3 126.99 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.17 150.92 96.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.29 126.15 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.14 -2.09 65.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 58.9 m-85 -114.87 158.2 22.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -150.24 129.92 13.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -38.69 143.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 108.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.439 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.89 89.16 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 5.2 m-85 -43.78 112.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.4 m -116.06 164.0 15.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.32 107.86 19.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -120.82 165.85 14.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.26 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -99.8 155.66 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.36 -8.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.535 ' CA ' HD13 ' A' ' 27' ' ' LEU . . . 92.95 -35.1 4.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.025 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 13' ' ' LEU . . . -152.73 76.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.802 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.2 tp 177.6 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 109.228 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.87 145.24 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -63.22 138.67 58.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.33 166.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.9 OUTLIER -90.2 132.1 35.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.17 157.77 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 18.5 t -95.08 88.47 5.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -111.5 166.42 11.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.645 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 m170 -108.3 171.73 7.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 109.657 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.2 -30.17 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 1.96 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -129.3 154.93 46.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.5 p -131.21 168.5 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.873 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -146.63 174.03 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 1.1 tt -62.71 79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 29' ' ' PRO . 69.0 t -76.4 143.2 72.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.522 1.801 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.8 144.62 12.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.31 106.96 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 31.9 m -89.9 118.61 29.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -112.98 143.35 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.66 125.04 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.11 -88.3 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.078 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -148.47 29.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m -139.02 121.27 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -124.24 146.05 48.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.947 HD11 ' CE1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -151.2 150.75 30.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.379 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.948 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -114.64 124.91 53.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.15 -174.22 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.5 m -114.48 117.45 31.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -160.62 103.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.8 m-85 -102.9 179.81 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.519 0.2 . . . . 0.0 110.99 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -144.47 72.36 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 22.2 m -52.34 122.68 25.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.227 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.97 4.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.1 m -60.71 129.63 42.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 95.82 0.92 61.95 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CE1' HD11 ' A' ' 39' ' ' LEU . 38.3 m-85 -125.92 150.1 48.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -137.8 101.71 4.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 tt0 -35.48 124.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' TYR . 2.9 mtt85 -119.98 84.41 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' ARG . 3.8 p90 -36.49 105.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.1 152.25 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.82 107.43 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m -106.85 153.21 22.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.523 ' HB2' HD12 ' A' ' 27' ' ' LEU . 50.5 m -86.87 156.84 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.03 30.59 2.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -18.29 37.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -122.28 -135.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.93 -20.61 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HD22 ' A' ' 13' ' ' LEU . 27.1 mtmt -65.79 112.96 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.14 138.62 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 10.6 p -143.48 166.64 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -93.33 135.57 34.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.4 148.09 52.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -89.93 80.56 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.262 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.507 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -101.12 157.3 16.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 31.7 m-70 -102.03 176.8 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -28.73 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.9 2.53 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' O ' HD11 ' A' ' 20' ' ' LEU . 11.5 tp10 -125.12 154.15 41.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 p -145.17 135.31 23.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 109.951 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -121.5 175.1 6.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 44' ' ' TYR . 1.8 tm? -70.16 89.67 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.699 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.7 p -74.67 142.97 77.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.02 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.547 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.02 148.45 19.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.6 m-20 -106.07 110.83 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 m -89.12 123.04 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -104.43 134.82 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.316 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -130.2 103.28 6.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.56 -86.52 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -133.95 20.05 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 0.801 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -119.02 157.87 26.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.46 145.3 40.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -149.1 147.88 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.658 ' O ' HD23 ' A' ' 41' ' ' LEU . 34.3 m -117.52 124.2 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 39' ' ' LEU . 64.6 mt -150.13 178.27 9.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 12' ' ' ALA . 3.6 m -110.43 119.09 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.265 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -152.39 140.91 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE2' HD21 ' A' ' 27' ' ' LEU . 13.1 m-85 -110.01 172.79 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 71.2 t80 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.48 0.181 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.587 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -126.33 -177.21 3.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.25 152.27 77.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.98 172.03 17.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -64.68 129.8 41.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HH21 ' A' ' 58' ' ' ARG . . . 91.01 -2.96 80.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 59.6 m-85 -115.0 160.44 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.485 HH21 ' C ' ' A' ' 56' ' ' GLY . 0.9 OUTLIER -150.76 125.17 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.5 tt0 -37.24 141.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.312 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -109.71 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 37.3 m-85 -36.27 97.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -102.84 143.64 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.431 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.12 100.37 10.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 m -102.77 155.31 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.303 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -101.98 133.69 46.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 12' ' ' ALA . 3.0 p-10 -90.15 3.47 53.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.4 23.45 0.81 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.0 47.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.405 0.709 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 157.04 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.712 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -166.86 -178.8 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -79.08 125.77 29.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.82 159.7 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -79.35 144.22 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.62 136.95 34.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 53.4 t -92.01 85.47 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 108.237 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.594 HD23 ' CG ' ' A' ' 24' ' ' GLU . 4.0 mp -116.27 158.57 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 63.1 m80 -103.35 -179.11 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.563 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.2 -27.82 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.33 0.16 30.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.594 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.6 tp10 -127.19 153.19 46.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.97 138.65 20.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -124.9 173.23 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.832 HD21 ' CE1' ' A' ' 44' ' ' TYR . 11.6 tp -61.94 82.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.953 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -74.85 153.56 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.953 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 -172.33 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.42 154.81 25.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.549 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -104.41 124.36 49.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 52.4 m -103.71 117.39 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 128.66 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.814 HH21 ' HA3' ' A' ' 56' ' ' GLY . 6.5 ttm180 -127.74 89.71 2.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.5 -84.21 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.528 1.142 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 20.94 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -126.83 111.58 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.937 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.7 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.8 ptm180 -93.37 147.41 22.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.7 HD22 ' C ' ' A' ' 38' ' ' ARG . 3.4 mm? -138.2 161.13 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.952 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.6 m -144.19 107.2 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.952 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.88 -179.18 7.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.81 126.83 52.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -160.67 121.96 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CE1' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -89.91 161.55 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 6.2 t80 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 120.5 0.19 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 m -127.76 147.01 61.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.02 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.3 m -61.21 132.03 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.814 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 91.79 -4.44 78.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -120.6 151.72 39.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.51 119.89 11.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.7 pt20 -36.72 126.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 8.4 tpp180 -105.6 89.73 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -41.6 114.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' SER . 4.2 m -117.01 166.35 12.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.41 107.38 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 m -117.72 156.97 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.7 160.17 16.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.8 -7.18 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.74 -34.1 3.99 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -152.71 68.66 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -179.97 -96.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.42 -176.17 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.43 128.36 49.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.25 171.81 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.4 m -92.41 134.36 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.78 158.86 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.64 89.75 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.24 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.778 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -124.49 166.19 16.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 64.6 m80 -114.09 -179.49 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -26.02 64.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -0.77 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.0 tp10 -130.58 156.48 44.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -136.13 171.35 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.778 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -151.91 173.73 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.311 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.788 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -65.54 92.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 29' ' ' PRO . 75.1 t -78.61 143.38 63.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.05 -171.08 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.13 152.97 24.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.663 ' OD1' HG23 ' A' ' 40' ' ' THR . 0.3 OUTLIER -119.54 106.13 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.496 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 4.4 m -89.27 125.01 34.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 14.9 p -123.16 149.17 44.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 4.1 tpm_? -157.31 126.25 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.2 -92.13 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.59 24.28 2.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.2 m -128.21 153.38 46.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 32.5 ttp180 -150.14 150.67 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -151.45 141.25 21.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.663 HG23 ' OD1' ' A' ' 31' ' ' ASP . 20.1 m -120.37 125.32 47.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.59 -169.9 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.0 m -122.42 113.46 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 m -161.48 130.22 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CE1' HD11 ' A' ' 27' ' ' LEU . 9.8 m-85 -131.18 -178.51 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.2 t80 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.533 0.206 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -113.15 92.46 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.62 135.06 43.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.67 24.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -61.87 128.89 38.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 94.94 1.57 63.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.496 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 34.1 m-85 -128.87 144.37 51.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 110.964 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 15.3 ptm180 -142.8 128.35 19.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ARG . 14.0 pt20 -37.18 132.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 4.1 mtt180 -111.86 95.82 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -47.77 107.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.5 m -108.51 164.99 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.4 107.97 20.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.25 155.94 20.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.85 159.05 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.94 15.03 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.673 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . 83.8 -14.95 39.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.584 1.178 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.08 -131.48 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 0.721 . . . . 0.0 109.231 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.26 -25.6 21.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.231 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.947 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.41 155.36 29.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.54 131.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.671 HG22 ' H ' ' A' ' 17' ' ' SER . 1.7 p -148.8 -174.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.671 ' H ' HG22 ' A' ' 16' ' ' VAL . 1.3 m -101.66 134.8 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.06 28.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.0 t -94.09 86.2 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.565 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -115.96 157.18 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 m80 -103.81 178.59 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -27.89 65.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.95 2.12 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.48 155.66 40.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.75 124.94 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.565 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.3 p -109.05 178.32 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.386 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.673 HD23 ' HA2' ' A' ' 11' ' ' GLY . 7.9 tp -72.96 80.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.765 HG13 ' HD2' ' A' ' 29' ' ' PRO . 53.5 t -67.88 144.26 97.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.765 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.94 -168.28 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.71 152.16 24.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 6.8 m-20 -105.72 124.42 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.84 116.19 32.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.99 123.83 37.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.57 HH21 ' HA3' ' A' ' 56' ' ' GLY . 7.4 ttm180 -120.31 89.06 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.52 -84.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.91 26.47 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -136.2 105.46 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.37 149.17 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.573 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 2.0 mt -140.53 162.65 34.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -140.9 107.87 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.76 172.95 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.7 m -88.96 115.09 26.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -160.32 95.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 7.7 m-85 -103.79 168.45 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.5 t80 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.463 0.173 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -150.52 75.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -47.6 151.48 1.46 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -60.52 134.27 56.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.57 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 85.82 -2.22 87.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 44.1 m-85 -123.59 153.2 41.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.8 ptm180 -150.03 125.98 10.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.2 pt20 -34.84 142.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 4.9 p . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 13.6 mmm180 -88.46 -144.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.68 114.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -141.83 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 27.6 mt -101.2 103.25 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.54 154.21 19.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 71.7 m -78.01 156.07 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 108.351 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -93.55 21.47 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.76 4.32 39.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.942 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.54 44.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.798 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER 79.57 -53.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' ASP . 22.1 mtmt -38.33 144.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.97 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.84 161.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -86.99 125.17 33.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.49 158.47 27.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 5.5 t -104.21 88.26 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 108.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.89 160.85 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 1.9 m170 -95.28 171.26 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.9 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.15 2.73 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -125.32 147.75 49.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -137.33 140.86 41.76 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.76 175.79 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.285 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 5.3 tp -65.9 89.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 29' ' ' PRO . 74.0 t -79.86 143.81 58.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.07 -169.57 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.61 152.2 24.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.11 109.15 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.2 m -88.96 110.86 21.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' ARG . 29.1 p -116.8 141.39 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -160.79 128.24 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.01 -95.46 0.28 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -139.2 26.73 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 p -135.08 140.81 45.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 28.3 ttp180 -144.51 150.37 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 4.1 tp -151.08 142.05 22.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.7 m -114.47 110.16 19.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.56 173.18 14.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.432 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -89.02 115.97 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.392 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -155.0 88.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 1.6 m-85 -100.7 168.49 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.442 0.163 . . . . 0.0 111.06 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -141.64 71.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.7 m -54.11 131.56 59.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.03 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 m -60.83 127.03 29.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . 95.96 4.21 60.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 40.5 m-85 -129.25 154.33 46.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' CYS . 3.3 tmt_? -145.29 111.38 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 3.7 pt20 -36.75 126.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 108.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' TYR . 20.7 mtp180 -106.3 61.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' ARG . 43.2 p90 -35.81 125.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.53 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' N ' ' OG1' ' A' ' 6' ' ' THR . 2.5 mp -105.37 114.65 28.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -121.45 164.0 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.939 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -109.53 148.34 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.443 ' OD2' HD12 ' A' ' 13' ' ' LEU . 3.3 t70 -89.3 -10.8 45.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' CA ' ' OH ' ' A' ' 44' ' ' TYR . . . 86.38 -25.79 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.95 83.59 1.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 0.746 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 165.69 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 179.1 133.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.939 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -54.15 140.42 32.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.15 163.27 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -93.14 131.04 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.28 157.46 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -93.08 82.4 4.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 108.364 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.64 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -97.46 158.3 15.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.17 -178.04 3.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.49 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' GLU . 2.2 p -78.82 -77.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 26.1 tp10 -35.96 153.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.3 t -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.072 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -139.53 174.66 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.43 94.13 6.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -80.16 143.58 56.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.7 Cg_endo -74.92 -171.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 161.94 28.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -109.53 111.41 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.0 m -89.58 125.86 35.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 136.33 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -133.8 114.25 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.45 -94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -127.3 43.63 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -149.3 162.49 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -147.44 147.99 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.687 HD21 ' HE2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -151.3 143.81 24.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.94 ' O ' HD23 ' A' ' 41' ' ' LEU . 19.7 m -116.04 121.79 43.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.94 HD23 ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.52 -175.81 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 29' ' ' PRO . 5.2 m -113.42 123.96 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.04 142.48 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.441 ' OH ' ' CA ' ' A' ' 11' ' ' GLY . 30.1 m-85 -101.0 172.52 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 52' ' ' GLN . . . . . . . . 0 CA--C 1.531 1.07 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 71.5 t80 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.58 0.228 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HA3' ' A' ' 45' ' ' GLY . 2.8 tp60 -150.58 155.6 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 152.88 43.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.21 27.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m -64.75 127.76 32.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.22 -5.38 61.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.687 ' HE2' HD21 ' A' ' 39' ' ' LEU . 42.6 m-85 -113.87 177.32 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -147.61 -179.99 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.03 122.81 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 42.4 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 22' ' ' GLU . 0.9 OUTLIER -89.45 -146.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 84.6 t80 -178.15 106.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -140.65 166.56 24.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.88 99.62 11.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.19 161.15 13.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -99.08 144.32 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -13.56 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.14 -25.06 7.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 70.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 177.45 -93.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -178.06 132.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -45.17 124.69 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.27 163.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 1.3 p -74.09 133.67 42.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.88 157.54 45.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 109.24 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 t -107.6 108.32 19.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -128.46 158.29 38.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 18.8 m-70 -93.18 170.45 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.28 -31.72 71.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.88 3.66 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.927 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.55 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -124.12 152.87 42.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 129.45 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.3 p -106.46 176.27 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 108.252 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 44' ' ' TYR . 3.6 tp -68.9 76.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.932 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -74.0 149.5 87.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.932 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 -169.46 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 51' ' ' PHE . . . -148.36 140.1 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 5.1 m-20 -89.23 107.0 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.05 121.56 32.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 8.5 m -104.55 143.96 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.647 HH21 ' HA2' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -150.61 126.84 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.31 -99.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -127.83 51.41 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -157.79 156.32 31.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -149.65 146.51 27.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.819 HD13 ' CD1' ' A' ' 41' ' ' LEU . 2.3 pp -151.93 150.29 29.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -114.07 114.06 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.819 ' CD1' HD13 ' A' ' 39' ' ' LEU . 4.8 mt -142.79 -175.22 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 73.6 m -111.32 124.45 52.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 31.8 t -155.85 90.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 42' ' ' CYS . 1.2 m-85 -105.68 165.91 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 13.2 t80 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.47 0.176 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -133.56 108.84 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.42 135.86 46.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -75.01 176.39 9.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -61.3 131.02 49.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.647 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 92.32 -1.43 73.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.465 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.9 m-85 -123.23 153.89 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 6.9 ptp180 -147.74 123.21 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -36.79 140.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.372 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 31' ' ' ASP . 34.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 3.0 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -108.08 95.83 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.53 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 98.9 m-85 -52.13 132.65 33.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -142.84 163.49 32.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -96.7 116.59 29.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.9 m -126.33 165.26 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.803 ' CB ' HD23 ' A' ' 27' ' ' LEU . 4.1 m -85.06 159.12 20.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -100.14 42.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.542 ' CA ' HD22 ' A' ' 27' ' ' LEU . . . 91.01 -23.93 21.14 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.85 -133.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.68 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.1 tm? -92.6 -32.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG3' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -50.3 101.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.69 129.92 34.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.12 154.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 133.83 33.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.29 163.83 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 4.2 t -116.57 97.68 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.527 HD22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 mp -116.81 156.72 26.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 3' ' ' CYS . 2.9 m170 -90.49 173.6 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.46 -32.3 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.45 2.9 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -124.5 157.2 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.66 137.91 21.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -111.29 173.09 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' CB ' ' A' ' 9' ' ' CYS . 4.5 tp -58.86 84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.726 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.0 t -78.06 143.52 65.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.726 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.93 165.73 29.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 17.4 m-20 -108.12 125.56 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 0.714 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 m -106.93 117.3 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.2 131.94 46.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tmm_? -133.13 126.95 32.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 39.38 -94.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ARG . 15.5 pttp -127.49 54.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -158.56 159.14 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.907 ' C ' HD22 ' A' ' 39' ' ' LEU . 6.7 tmm_? -134.96 150.53 50.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.907 HD22 ' C ' ' A' ' 38' ' ' ARG . 3.6 mm? -141.59 162.1 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.965 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.5 m -143.38 103.78 4.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.965 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -151.09 -172.41 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.5 m -108.52 132.26 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.5 t -161.51 99.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 27' ' ' LEU . 6.4 m-85 -103.26 177.04 4.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 2.1 t80 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.499 0.19 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' SER . 5.1 tm0? -143.47 71.43 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -45.58 153.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -63.85 129.33 39.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 110.418 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -11.26 67.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 63.4 m-85 -107.13 166.37 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -150.76 124.13 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 7.8 mt-30 -39.32 127.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -95.32 77.67 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.559 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 93.7 m-85 -50.73 117.51 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -131.65 162.73 29.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.408 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.06 118.87 29.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.6 m -130.36 166.81 19.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 2.2 m -102.1 148.19 25.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.6 -6.49 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.17 -32.92 4.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -151.73 88.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 169.01 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.6 123.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -37.04 119.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -130.2 -169.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.723 ' N ' HG13 ' A' ' 16' ' ' VAL . 22.2 p -88.46 153.71 20.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.24 152.81 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 6.1 t -114.0 93.23 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 19' ' ' CYS . 6.2 mp -128.48 160.5 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -90.98 -177.97 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.45 -30.07 70.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -79.55 -78.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.5 tp10 -38.36 151.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.413 ' N ' HD23 ' A' ' 20' ' ' LEU . 1.3 m -140.61 164.86 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.59 170.86 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.345 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 6.4 tp -69.1 91.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -65.97 143.4 98.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.88 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.448 1.762 . . . . 0.0 111.074 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.64 140.7 8.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.17 118.83 37.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -99.99 115.54 29.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.253 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -95.29 122.61 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.167 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LYS . 5.8 ttp180 -114.55 108.44 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.49 -86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.88 38.6 3.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 1.3 m -143.99 165.26 28.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 41.9 ttp180 -134.21 150.87 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 57' ' ' TYR . 20.4 mt -146.15 103.93 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.1 m -93.39 110.22 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.48 172.05 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.7 m -89.06 115.24 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.33 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.558 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 16.5 t -159.04 95.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 1.4 m-85 -89.88 163.41 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.933 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 15.5 t80 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.598 0.237 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.35 125.13 9.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.27 153.89 76.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 108.27 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.97 175.85 10.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 m -62.72 134.04 55.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.79 -4.73 84.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 47.1 m-85 -116.45 149.73 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLN . 14.1 ptm180 -145.42 125.4 13.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -37.59 127.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 93.89 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.43 123.23 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -135.56 168.75 18.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -106.55 133.79 50.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.0 m -133.99 164.71 26.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 108.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -106.54 147.48 29.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 108.257 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -13.75 38.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.03 -25.38 6.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 71.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 173.35 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -172.05 153.89 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.622 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -72.32 119.37 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -120.82 176.44 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -107.48 149.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.67 164.3 36.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 t -89.77 87.09 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.751 HD23 ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -92.96 172.81 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 51.3 m80 -132.26 -177.23 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -51.75 -36.52 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.46 12.22 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.751 ' CG ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -33.77 142.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.3 p -151.79 91.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 6.2 p -145.66 -178.11 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.4 tp -91.71 86.71 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.954 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -75.93 150.23 83.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.954 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.08 -173.0 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.604 1.844 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' CA ' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.71 157.22 27.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 109.78 21.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 29.5 m -89.45 117.83 28.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.09 119.6 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.34 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.785 HH21 ' HA3' ' A' ' 56' ' ' GLY . 7.1 ttm180 -113.06 88.92 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.42 -78.83 0.12 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.33 24.2 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -134.59 104.59 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -94.51 144.45 25.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.038 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -146.24 129.25 16.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 19.2 m -106.37 114.07 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.038 HD23 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.65 175.01 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.1 m -99.3 115.4 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.7 p -157.55 94.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -106.42 174.55 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 CA-C-O 120.518 0.199 . . . . 0.0 111.015 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -146.6 73.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -53.76 129.5 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.247 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -176.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.96 134.69 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.785 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 87.85 -3.68 85.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 41.7 m-85 -122.37 147.57 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -145.02 123.12 12.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.0 mt-30 -37.12 126.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 5' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -101.32 66.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 82.8 m-85 -36.91 118.53 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.52 172.47 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.7 mp -90.17 122.38 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.0 m -139.01 170.58 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -100.85 128.19 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 108.331 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -10.83 43.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.81 10.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -148.98 87.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 7.1 tp 153.85 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 96.84 135.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.923 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -37.56 117.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.56 HG22 ' H ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -145.0 -176.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.56 ' H ' HG22 ' A' ' 16' ' ' VAL . 14.4 m -79.26 144.59 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 158.69 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 46.3 t -109.29 91.68 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -113.69 166.9 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.7 m170 -106.16 170.98 7.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -30.16 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 1.54 21.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 1.8 tp10 -129.12 152.7 48.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 164.7 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.718 ' SG ' HD22 ' A' ' 20' ' ' LEU . 1.2 p -137.42 178.88 6.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.3 tp -93.4 98.02 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.767 HG13 ' HD2' ' A' ' 29' ' ' PRO . 57.0 t -69.13 144.16 94.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.767 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.589 1.836 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.69 153.21 25.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.19 109.53 20.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 5.2 m -88.98 120.61 30.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -107.83 137.08 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.253 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.707 HH21 ' HA2' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -142.61 127.44 18.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.02 -97.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -130.82 47.89 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -153.32 156.45 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.9 ttp180 -143.39 150.37 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.007 HD21 HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -150.5 133.54 16.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.9 m -111.63 112.41 24.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.407 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.007 HD23 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.16 171.21 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.923 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 4.0 m -89.49 118.91 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.9 m -153.71 109.14 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -89.62 161.55 16.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 23.5 t80 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.471 0.177 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' NE2' ' H ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -140.35 -177.3 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.482 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 1.3 m -122.13 139.48 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.223 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.98 175.77 10.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -61.14 130.92 48.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.707 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 90.41 -1.56 79.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.0 m-85 -123.25 155.63 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -148.37 120.53 8.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 5.9 tt0 -36.95 137.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -103.27 89.45 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.201 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -51.88 113.94 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -125.88 163.09 23.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.17 109.24 20.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 m -105.54 158.64 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.04 155.15 19.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -15.19 34.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 27' ' ' LEU . . . 86.07 -26.55 6.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.98 60.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 179.92 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmmt -150.68 -176.66 5.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.45 117.15 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.585 HG22 ' H ' ' A' ' 17' ' ' SER . 6.3 p -116.93 173.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.585 ' H ' HG22 ' A' ' 16' ' ' VAL . 11.9 p -87.65 149.98 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.03 158.6 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.21 91.63 3.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.323 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 158.24 26.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 33.9 m-70 -98.48 173.95 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -66.31 -31.36 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.05 2.37 20.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -125.66 146.6 49.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 146.94 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.935 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -127.81 178.37 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.6 tp -64.93 75.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.608 HG22 ' HD2' ' A' ' 29' ' ' PRO . 2.9 p -65.57 142.09 98.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.608 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.01 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.09 156.85 27.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.5 m-20 -106.54 125.2 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 16.0 m -102.73 122.25 44.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 0.7 OUTLIER -96.37 132.1 42.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 6.2 ttm180 -131.21 89.07 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.24 -83.01 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.396 1.06 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -137.09 22.16 3.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -128.58 118.79 23.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -97.0 147.65 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -140.23 159.61 41.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.945 ' O ' HD23 ' A' ' 41' ' ' LEU . 7.6 m -138.27 114.53 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.45 -172.29 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -110.46 122.16 47.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 108.209 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -160.71 115.36 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 44.3 m-85 -116.06 179.34 4.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.484 0.183 . . . . 0.0 110.976 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.13 66.44 1.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.2 m -50.59 151.53 4.0 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.02 167.95 25.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.2 m -63.54 126.2 26.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.84 -5.74 53.98 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 43.3 m-85 -114.3 176.71 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -147.12 -175.02 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.36 124.47 35.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.6 mtm-85 -103.86 77.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 p90 -46.61 117.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.0 m -130.66 166.39 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 112.54 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.1 m -111.56 163.08 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 3.0 m -103.17 132.89 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -105.21 21.7 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.62 26.98 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -127.49 -126.87 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -37.71 -65.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 177.6 176.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -57.4 119.44 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -121.62 155.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -73.08 151.4 41.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 153.58 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -99.37 86.33 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.774 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -112.36 166.17 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.651 ' O ' HD12 ' A' ' 20' ' ' LEU . 69.2 m80 -118.45 -179.29 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.574 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -25.42 64.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -1.33 36.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -131.76 155.72 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 134.92 17.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.774 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -117.65 170.37 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 9.4 tp -63.49 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 29' ' ' PRO . 76.2 t -68.46 143.41 95.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 -167.8 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -148.79 150.62 22.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.563 1.164 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.1 m-20 -107.15 121.99 45.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' CB ' ' CD2' ' A' ' 57' ' ' TYR . 5.0 m -97.28 116.64 29.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.6 m -114.31 141.26 47.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 108.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -153.31 114.79 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.34 -98.41 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 24.46 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 m -123.92 153.22 41.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 42.0 ttp180 -147.31 152.26 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.679 HD22 ' OH ' ' A' ' 57' ' ' TYR . 1.6 tp -150.49 160.89 43.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.944 ' O ' HD23 ' A' ' 41' ' ' LEU . 35.2 m -139.87 110.09 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.85 -169.41 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.58 122.63 45.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 108.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -160.16 92.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -101.88 173.08 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.495 0.188 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.46 70.49 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -48.07 135.99 11.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.01 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.413 1.744 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.55 123.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 99.37 -7.05 59.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.679 ' OH ' HD22 ' A' ' 39' ' ' LEU . 5.5 m-30 -114.26 150.96 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.324 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 4.6 pt20 -35.39 136.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.047 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 6' ' ' THR . 16.1 tpp180 -102.42 69.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.569 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 92.3 m-85 -46.17 117.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -143.57 173.7 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.1 mt -98.51 119.82 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.34 161.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -100.78 132.73 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 12' ' ' ALA . 69.1 m-20 -118.93 32.21 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.06 27.01 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 10' ' ' ASP . . . -103.13 -129.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.961 HD13 ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.07 -37.11 86.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.961 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER 172.03 -169.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 116.23 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.24 146.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 150.87 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.64 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 5' ' ' TYR . 5.5 t -113.11 95.98 5.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.733 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -126.67 167.38 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m170 -113.18 -179.84 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -26.02 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -0.99 33.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.939 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -130.53 157.62 42.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 159.62 41.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.733 ' SG ' HD22 ' A' ' 20' ' ' LEU . 1.1 p -138.37 176.75 8.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD21 ' CE2' ' A' ' 44' ' ' TYR . 1.2 tp -73.89 85.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.6 p -69.79 143.21 91.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.6 Cg_endo -74.92 -172.59 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.46 152.82 24.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -107.0 110.25 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.787 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' O ' HD23 ' A' ' 39' ' ' LEU . 16.3 m -89.17 121.02 31.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 108.277 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 129.22 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.1 ttp180 -127.6 101.34 6.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.12 -81.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.573 1.171 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -140.6 24.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -132.32 112.66 12.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -103.31 145.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.234 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 32' ' ' CYS . 1.4 pt? -150.25 137.98 19.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -107.93 119.04 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -150.44 169.2 22.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.544 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 m -90.13 120.43 31.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -154.74 126.44 7.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.997 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.639 ' CE2' HD21 ' A' ' 27' ' ' LEU . 1.9 m-85 -89.51 165.49 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.933 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 43' ' ' SER . 2.4 t80 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.421 0.153 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.3 tt0 -143.63 -176.86 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.74 145.55 34.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.244 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.0 178.05 7.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 t -61.6 135.7 57.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.09 -4.77 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 42.9 m-85 -119.37 153.57 34.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.7 tmt_? -147.49 122.36 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.4 mt-30 -37.56 130.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.618 ' CB ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 6' ' ' THR . 14.9 mtm180 -118.89 99.72 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -46.15 116.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.4 m -128.56 166.1 19.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -108.94 117.83 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 m -118.9 157.61 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 m -75.57 149.78 38.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LYS . 9.9 m-20 -94.36 29.36 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.22 3.11 44.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.16 45.92 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 71.09 -54.48 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 1.012 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.46 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.72 122.98 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.5 144.44 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.4 p -84.82 135.27 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.32 157.85 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -93.64 82.38 4.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.168 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.533 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -102.79 157.4 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 3' ' ' CYS . 63.8 m80 -106.28 -179.67 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.544 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.22 1.75 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.94 156.36 39.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.3 p -148.27 147.45 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -136.03 172.47 12.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.899 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -66.91 93.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' ' 29' ' ' PRO . 69.5 t -81.51 143.87 52.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.226 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.749 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 -169.6 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.599 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 150.26 22.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.664 ' CG ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -114.42 102.57 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 3.2 m -89.43 121.57 31.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -120.76 148.53 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.38 120.62 4.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.01 -88.18 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.2 26.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -131.12 121.3 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -122.66 148.12 45.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 tp -150.69 132.92 15.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.664 HG23 ' CG ' ' A' ' 31' ' ' ASP . 10.0 m -115.0 112.69 23.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -152.02 171.63 17.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' LEU . 32.5 m -94.3 124.58 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 108.235 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 t -160.13 109.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.899 ' CE1' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -95.3 164.29 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.966 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.599 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 5.3 t80 . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.493 0.187 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' SER . 4.0 tp60 -148.44 90.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 60.4 m -60.5 147.25 83.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.36 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.0 167.83 26.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -63.43 130.93 46.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 92.24 -1.27 73.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 43.6 m-85 -124.8 147.07 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 0.803 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.3 ptp180 -145.92 129.28 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -37.34 131.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 108.356 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -107.12 88.76 2.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -49.23 115.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' SER . 1.7 m -120.82 162.74 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.26 101.43 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.5 m -111.31 164.52 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -90.38 155.88 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.358 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.606 ' OD2' HD23 ' A' ' 13' ' ' LEU . 7.7 m-20 -89.25 -11.71 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -35.77 4.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.85 67.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.606 HD23 ' OD2' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -178.9 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -178.37 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.64 117.66 30.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -117.97 178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -96.27 116.39 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.97 151.03 25.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -99.06 84.4 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.51 ' CD2' ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -117.41 158.64 24.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -95.14 175.01 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.03 -31.18 71.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.38 3.44 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.7 tp10 -122.94 154.8 37.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.04 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.61 169.5 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.259 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD21 ' HE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -63.34 93.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.359 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.411 HG13 ' HD2' ' A' ' 29' ' ' PRO . 1.2 t -78.85 150.56 75.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.12 147.0 17.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -108.19 104.6 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 1.3 m -89.85 124.76 34.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.69 143.61 31.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.36 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -141.45 103.37 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.401 1.063 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -85.79 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -141.09 24.09 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -132.88 123.73 26.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 110.055 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.8 ttp180 -105.95 152.68 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.744 HD21 HD12 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.23 125.95 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.72 ' O ' HD23 ' A' ' 41' ' ' LEU . 7.2 m -109.6 120.42 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 HD21 ' A' ' 39' ' ' LEU . 30.8 mt -150.96 -179.84 7.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 m -109.49 119.36 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.353 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -160.8 141.48 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HE1' HD21 ' A' ' 27' ' ' LEU . 58.8 m-85 -100.5 175.63 5.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 52' ' ' GLN . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 86.4 t80 . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.508 0.194 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -141.83 -157.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.77 171.85 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.06 172.33 16.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.477 1.778 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 m -62.72 126.23 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.41 -10.06 46.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 3.4 m-85 -107.77 117.49 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -132.03 124.74 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.8 tt0 -33.7 137.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' TYR . 44.3 ttp180 -95.66 73.19 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.0 m-85 -36.26 122.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -139.16 172.87 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.4 mm? -95.08 117.75 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.3 m -121.46 161.98 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.273 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 34.7 m -105.06 146.74 28.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.335 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.45 -7.28 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.25 -32.6 4.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.39 84.3 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.582 0.813 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER 173.33 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -177.1 122.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -39.09 117.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 17' ' ' SER . 8.9 p -129.02 173.03 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 16' ' ' VAL . 23.5 m -72.17 151.8 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.25 157.8 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -111.09 92.96 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.546 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -128.33 158.3 38.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.637 1.211 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 68.7 m80 -104.14 -179.65 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -26.87 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.76 1.48 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -127.12 151.5 48.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -136.84 127.54 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.546 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -106.9 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.264 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' HE1' ' A' ' 44' ' ' TYR . 2.0 tm? -78.12 95.81 5.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.746 HG22 ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -82.67 143.9 47.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.746 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.04 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -147.99 146.31 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 0.0 111.065 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -106.77 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 5.1 m -92.2 124.41 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.1 p -118.01 146.99 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.311 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -158.96 127.81 5.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.11 -90.19 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 27.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 p -140.46 138.0 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 32.1 ttp180 -141.32 151.64 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.3 150.19 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -117.17 126.84 53.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 39' ' ' LEU . 85.9 mt -150.69 -176.43 5.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.23 116.43 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 6.7 m -159.92 135.77 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.419 ' HE1' HD11 ' A' ' 27' ' ' LEU . 23.5 m-85 -98.13 174.53 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.97 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.574 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 87.4 t80 . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.537 0.208 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -120.06 -171.44 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.7 m -143.13 144.57 29.23 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.99 166.06 30.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -62.4 128.47 36.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.3 0.79 58.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 46.5 m-85 -126.21 159.36 33.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -145.7 118.47 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -36.83 128.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.341 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -114.47 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -43.99 123.06 3.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 1.9 m -128.38 163.26 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.0 mt -90.73 114.14 26.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 18' ' ' ALA . 10.3 m -108.75 156.93 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.39 159.96 14.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -89.7 15.28 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 27' ' ' LEU . . . 82.54 -12.75 44.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.39 -131.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.8 -24.61 21.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.914 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.54 163.69 15.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.27 129.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.643 HG22 ' H ' ' A' ' 17' ' ' SER . 8.8 p -138.86 175.25 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.643 ' H ' HG22 ' A' ' 16' ' ' VAL . 31.1 t -92.9 155.9 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . -149.17 162.03 40.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.47 93.78 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' CG ' ' A' ' 24' ' ' GLU . 5.7 mp -120.53 158.82 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 55.0 m80 -98.03 -179.84 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.65 0.75 28.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.8 tp10 -127.87 153.99 46.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.26 133.26 16.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -111.11 177.99 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.363 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -65.78 73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.621 HG23 ' HD2' ' A' ' 29' ' ' PRO . 4.4 p -62.17 141.79 95.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.07 149.53 21.54 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.115 . . . . 0.0 111.076 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.52 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -108.95 115.24 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 m -89.71 114.17 25.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -114.76 141.47 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -152.47 125.9 8.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.13 -98.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -123.49 51.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 t -153.88 153.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 6.7 tmm_? -150.25 150.07 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 10.3 tp -151.12 162.46 40.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.959 ' O ' HD23 ' A' ' 41' ' ' LEU . 38.9 m -138.3 113.84 9.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.959 HD23 ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.43 -173.78 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -106.95 117.68 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.615 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 13.9 m -160.32 115.86 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.5 m-85 -112.67 179.44 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 110.989 179.992 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 43' ' ' SER . 1.5 t80 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.472 0.177 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -129.72 64.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -49.42 137.62 16.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.4 6.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.23 132.93 55.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 82.86 6.11 88.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 32.6 m-85 -131.68 144.14 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -143.53 123.35 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -36.24 141.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.5 155.58 25.72 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -51.9 160.4 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 108.273 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -112.51 96.33 5.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -48.2 109.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.2 m -112.41 164.29 13.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.367 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.44 108.45 20.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 79.2 m -127.98 165.73 19.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.833 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 11.5 m -103.44 149.53 24.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.279 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -89.07 -11.14 44.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.35 -27.94 6.0 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.635 ' O ' HD12 ' A' ' 13' ' ' LEU . . . -150.77 79.01 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 0.782 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.635 HD12 ' O ' ' A' ' 12' ' ' ALA . 0.1 OUTLIER 173.19 -84.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 174.59 132.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.833 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -50.09 125.96 13.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG22 ' H ' ' A' ' 17' ' ' SER . 1.4 p -143.8 -175.13 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.637 ' H ' HG22 ' A' ' 16' ' ' VAL . 1.0 OUTLIER -98.5 132.7 43.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.005 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.18 158.81 29.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.4 t -95.67 85.11 4.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 108.304 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.726 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -118.43 156.73 28.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.42 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 26.9 m-70 -95.7 172.08 8.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.614 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -30.77 69.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.68 2.92 17.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.566 ' O ' HD11 ' A' ' 20' ' ' LEU . 1.3 tt0 -124.26 150.37 45.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.2 p -126.71 170.17 12.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.726 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -153.2 170.7 19.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.593 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -67.12 93.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.707 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.3 t -70.64 143.51 89.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.707 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.08 -172.37 1.25 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.524 1.802 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.77 142.93 10.36 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.552 1.157 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.0 OUTLIER -102.73 110.26 22.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.7 m -89.25 126.02 35.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 108.258 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -98.19 132.27 43.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.492 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 5.3 ttm180 -127.78 91.07 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.69 -81.73 0.16 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -139.47 23.19 2.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 0.752 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.2 m -130.61 118.02 20.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.97 148.59 22.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 13.4 tp -147.6 144.61 28.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.8 m -118.8 118.12 30.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.35 174.86 10.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -109.07 116.68 32.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 108.284 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.592 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 5.1 m -160.5 128.28 4.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.028 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.602 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -90.44 167.01 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -126.34 119.09 3.29 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 45' ' ' GLY . 0.3 OUTLIER -38.68 125.68 1.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 0.776 . . . . 0.0 110.304 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.46 -63.7 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.89 -68.22 0.07 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -147.75 71.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 0.751 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.23 153.79 25.56 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 111.024 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 12.6 t80 -100.02 148.31 24.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.74 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.61 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -128.93 177.77 6.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 3.1 m -119.67 156.34 53.79 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 108.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.488 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 167.38 27.15 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.516 1.798 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.5 m -63.82 129.06 38.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.68 -5.12 64.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.492 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 36.0 m-85 -115.81 174.7 5.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.0 OUTLIER -144.62 -177.94 5.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.277 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.97 133.77 34.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 108.323 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.1 mtt85 -119.89 161.43 20.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 110.292 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' HB3' ' NE2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER 59.69 158.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.553 1.158 . . . . 0.0 108.254 179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -112.31 85.35 2.14 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -38.84 99.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.08 161.11 15.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.628 1.205 . . . . 0.0 110.385 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 16' ' ' VAL . 3.1 mm? -94.14 124.38 38.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 15' ' ' ALA . 26.1 m -116.14 158.85 22.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 108.306 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -110.21 142.51 41.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.123 . . . . 0.0 108.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.51 -7.11 55.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.12 -32.99 4.42 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -151.77 81.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 176.34 -94.11 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.4 121.97 0.21 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -40.38 122.28 1.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.455 ' C ' HD13 ' A' ' 7' ' ' LEU . 7.2 p -122.21 148.79 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.407 ' N ' HD13 ' A' ' 7' ' ' LEU . 6.0 p -68.89 151.51 46.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.006 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.13 147.94 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.0 t -94.61 82.01 3.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.407 1.067 . . . . 0.0 108.299 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.812 HD22 ' SG ' ' A' ' 26' ' ' CYS . 3.4 mp -109.83 156.7 20.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.421 ' NE2' ' HB3' ' A' ' 3' ' ' CYS . 63.2 m80 -105.9 -179.55 3.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.584 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.39 -27.52 67.92 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.429 1.08 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.31 0.42 28.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -129.14 151.06 50.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.4 p -150.22 136.13 18.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.812 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -123.18 173.72 7.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 108.262 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 44' ' ' TYR . 6.7 tp -64.81 77.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.626 HG22 ' HD2' ' A' ' 29' ' ' PRO . 3.1 p -65.67 142.56 98.28 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.626 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.05 -168.09 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.416 1.745 . . . . 0.0 111.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.581 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.02 146.75 16.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -106.3 104.4 14.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 0.724 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.491 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 11.3 m -87.94 112.29 22.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 108.311 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.75 143.81 46.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 108.246 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.2 127.63 4.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.75 -88.86 0.18 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.598 1.186 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.42 29.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.789 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 73.2 m -135.2 122.03 21.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.989 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -120.01 147.9 44.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.847 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.95 132.01 14.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.2 m -111.28 110.65 21.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.423 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.847 HD23 HD21 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.68 177.75 10.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.409 ' H ' HD12 ' A' ' 41' ' ' LEU . 1.6 m -89.15 116.64 27.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 108.28 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.2 m -147.06 100.25 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.034 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CZ ' HD21 ' A' ' 27' ' ' LEU . 1.3 m-85 -97.01 163.1 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 148.86 152.81 5.81 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 111.008 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 59.64 151.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.39 -49.48 4.16 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.537 1.148 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.77 -57.96 0.62 Allowed Glycine 0 CA--C 1.53 1.031 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.91 98.82 2.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.51 -137.06 2.44 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.512 1.132 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 45.7 t80 -126.02 151.37 47.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 0.788 . . . . 0.0 110.979 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.4 150.48 40.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.32 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 20.7 m -115.49 123.61 31.2 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 108.271 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.2 m -60.94 135.16 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.428 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.43 0.91 86.29 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 35.9 m-85 -127.18 144.94 50.92 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.566 0.803 . . . . 0.0 111.017 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.7 mtp180 -139.75 109.51 6.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -35.14 125.18 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.289 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 1.2 mtm180 -115.61 156.37 25.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 2' ' ' ARG . 0.3 OUTLIER 86.76 137.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 108.373 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.527 ' O ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -112.9 91.92 3.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.414 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.8 p90 -36.08 98.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -107.8 148.31 29.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 110.375 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.6 120.57 24.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 86.4 m -134.61 169.04 17.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 108.34 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.849 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.8 m -110.11 143.87 39.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.355 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.12 -13.23 38.97 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.84 -24.28 7.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.54 74.28 1.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.56 -92.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.5 117.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.292 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.849 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -36.46 125.66 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 17' ' ' SER . 4.9 p -145.17 178.93 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.689 ' H ' HG22 ' A' ' 16' ' ' VAL . 0.8 OUTLIER -87.56 136.21 33.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.423 1.077 . . . . 0.0 110.028 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -127.73 142.96 51.18 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.102 . . . . 0.0 109.331 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.1 t -89.36 78.77 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 108.322 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.47 157.65 17.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 3' ' ' CYS . 39.2 m-70 -97.46 174.36 6.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.138 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -67.19 -30.62 70.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.308 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.06 3.26 17.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.584 1.178 . . . . 0.0 109.972 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.34 151.34 42.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.93 139.96 38.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.75 171.84 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.528 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 0.0 OUTLIER -72.48 90.51 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 0.0 109.264 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.712 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.8 t -63.34 143.62 97.72 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.712 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.1 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.554 1.818 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.575 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.03 146.52 16.01 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.547 1.155 . . . . 0.0 110.941 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -104.6 126.76 51.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 70.7 m -101.63 124.0 46.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 108.276 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.06 131.5 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.333 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.683 ' CZ ' ' CE1' ' A' ' 57' ' ' TYR . 5.2 ttm180 -132.2 92.22 3.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.51 -84.98 0.14 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.574 1.171 . . . . 0.0 110.982 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.96 23.4 3.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -128.34 122.49 31.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 110.033 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.763 ' O ' HD22 ' A' ' 39' ' ' LEU . 1.9 ptm180 -96.96 147.12 24.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.763 HD22 ' O ' ' A' ' 38' ' ' ARG . 4.1 mm? -137.55 161.97 34.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.951 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.9 m -142.6 115.98 9.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.951 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.36 177.99 9.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.373 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -102.7 118.93 37.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.539 1.149 . . . . 0.0 108.288 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -157.08 104.33 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 110.062 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.531 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -98.2 160.23 14.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -147.46 145.54 14.32 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.77 144.71 32.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 0.809 . . . . 0.0 110.276 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 60.51 42.27 99.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.18 -104.54 0.35 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -149.72 81.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 37.55 -109.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.52 1.138 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.596 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 92.3 t80 -63.91 149.67 46.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 0.8 . . . . 0.0 111.023 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.596 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -119.58 -169.39 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.325 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 1.7 m -152.61 155.18 32.47 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 167.52 26.83 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.509 1.794 . . . . 0.0 111.03 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -65.04 127.02 29.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 110.383 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.02 -5.56 59.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.477 1.111 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.683 ' CE1' ' CZ ' ' A' ' 34' ' ' ARG . 38.6 m-85 -112.4 168.73 9.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 0.732 . . . . 0.0 111.041 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 1.7 mmp_? -136.59 -167.1 2.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -98.58 123.09 42.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 108.302 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -133.21 160.05 38.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -43.84 161.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.54 1.15 . . . . 0.0 108.238 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -101.77 79.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 5' ' ' TYR . 7.3 p90 -48.92 116.92 1.83 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.3 m -127.09 164.28 21.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.443 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.4 114.09 25.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.255 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 97.5 m -123.1 167.54 13.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 0.0 108.26 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.6 m -101.1 147.95 25.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 108.261 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -15.1 34.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.79 -25.24 6.8 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.416 1.072 . . . . 0.0 110.964 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.78 72.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 0.806 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HD3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 175.02 -89.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.377 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 177.7 133.07 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' LYS . . . -39.32 129.68 1.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 17' ' ' SER . 2.0 p -143.45 -172.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.165 . . . . 0.0 109.345 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.709 ' H ' HG22 ' A' ' 16' ' ' VAL . 16.1 m -92.2 146.76 23.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.959 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 5' ' ' TYR . . . -140.93 147.75 39.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -101.26 89.5 3.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.544 1.153 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.867 HD22 ' SG ' ' A' ' 26' ' ' CYS . 4.4 mp -121.02 153.96 36.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -91.96 175.46 6.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.593 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.7 -31.27 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.26 2.89 19.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.073 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -125.46 154.32 42.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.366 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 89.1 p -150.13 138.2 20.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.44 1.087 . . . . 0.0 110.042 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.867 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -118.6 167.81 11.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 108.28 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.651 ' CD2' ' CZ ' ' A' ' 44' ' ' TYR . 10.5 tp -60.46 89.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.262 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.592 HG23 ' HD2' ' A' ' 29' ' ' PRO . 6.2 p -72.93 141.87 82.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.592 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.06 -171.12 0.9 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.577 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.83 138.87 7.18 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.5 m-20 -97.07 108.64 21.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 57' ' ' TYR . 55.1 m -90.44 119.98 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 p -110.13 141.69 42.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 108.242 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.504 ' CD ' ' O ' ' A' ' 56' ' ' GLY . 4.8 tpm_? -150.98 121.9 7.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.74 -87.94 0.05 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -145.01 27.89 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.433 0.725 . . . . 0.0 109.257 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -135.88 120.27 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.99 146.79 47.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.975 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -150.65 150.83 31.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.354 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.413 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -113.66 118.88 35.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 110.352 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.975 HD23 HD21 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.32 170.9 17.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.268 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.59 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 m -90.14 119.84 30.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -149.42 88.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.138 . . . . 0.0 109.969 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.651 ' CZ ' ' CD2' ' A' ' 27' ' ' LEU . 1.1 m-85 -89.79 163.83 14.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.34 -165.75 12.06 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 111.055 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 46' ' ' GLU . 7.5 mp0 -130.52 139.23 50.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.754 . . . . 0.0 110.256 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.81 42.51 3.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.446 1.091 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.17 -108.21 1.26 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 50' ' ' GLY . 2.6 t-20 -150.32 87.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.587 0.816 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . 36.95 -110.23 0.09 OUTLIER Glycine 0 CA--C 1.528 0.886 0 O-C-N 124.494 1.122 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.577 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 32.7 t80 -56.89 151.89 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.383 0.696 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -148.67 116.69 6.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.268 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 2.6 m -78.17 135.57 62.08 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 108.279 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.535 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.1 Cg_endo -75.1 173.06 15.16 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.453 1.765 . . . . 0.0 110.933 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -61.49 127.11 29.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.406 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.504 ' O ' ' CD ' ' A' ' 34' ' ' ARG . . . 100.17 -1.17 56.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.943 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.535 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 38.6 m-85 -121.62 158.86 27.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 0.782 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -140.53 101.01 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.375 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.453 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 pt20 -37.62 126.83 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 108.283 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.42 155.63 46.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 110.266 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 178.82 153.32 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 108.241 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' O ' ' OG1' ' A' ' 6' ' ' THR . 2.1 tpm_? -109.19 80.79 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.292 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.404 ' HA ' ' O ' ' A' ' 18' ' ' ALA . 19.2 p90 -44.2 122.99 3.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 110.948 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 3.9 m -133.14 166.12 23.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.357 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.29 129.87 44.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 70.9 m -140.78 165.04 28.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.586 1.179 . . . . 0.0 108.296 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.6 m -95.3 160.31 14.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 12' ' ' ALA . 0.0 OUTLIER -87.58 -16.09 35.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.04 -38.29 3.4 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' OD1' ' A' ' 10' ' ' ASP . . . -152.9 72.32 0.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 109.287 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 6.6 tp -178.86 -99.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 13' ' ' LEU . 20.2 mmtt -145.09 -179.0 6.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.59 1.182 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.84 120.42 40.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.404 HG22 ' H ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -122.99 174.08 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 16' ' ' VAL . 33.8 t -93.18 152.29 19.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 110.067 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.404 ' O ' ' HA ' ' A' ' 5' ' ' TYR . . . -147.91 158.71 44.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 6.7 t -109.47 91.32 3.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 108.304 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.4 mp -117.12 155.47 29.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.568 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 8.1 m170 -93.26 177.64 5.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.606 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.65 -30.32 71.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.32 1.99 23.06 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.983 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -127.05 153.26 46.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.379 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.47 137.86 19.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.462 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -113.03 170.58 8.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.8 HD21 ' CE2' ' A' ' 44' ' ' TYR . 7.0 tp -60.84 87.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.79 HG13 ' HD2' ' A' ' 29' ' ' PRO . 54.4 t -77.15 144.6 71.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.79 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -169.15 0.59 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.525 1.803 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.582 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.12 156.97 27.07 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.525 1.14 . . . . 0.0 111.015 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.539 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -102.57 117.85 35.58 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 0.77 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.2 m -92.07 118.6 30.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 108.338 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 m -90.72 130.63 36.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 36' ' ' LYS . 10.2 ttp180 -131.29 102.33 5.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.04 -89.9 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' ARG . 17.8 ptmt -130.93 45.55 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 0.0 109.343 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -156.52 122.67 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.962 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -98.26 147.11 24.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 1.1 tt -139.16 162.01 36.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.572 1.17 . . . . 0.0 109.25 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.3 m -134.97 114.03 12.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.08 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.92 169.34 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 41' ' ' LEU . 64.0 m -100.22 127.19 46.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 108.296 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.81 105.05 1.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.077 . . . . 0.0 110.047 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.8 ' CE2' HD21 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -103.31 159.3 15.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -146.58 68.43 0.39 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.5 1.125 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' GLY . 2.4 pt-20 -36.63 139.59 0.18 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 0.734 . . . . 0.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.0 85.69 0.1 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.512 1.132 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.59 -71.25 0.47 Allowed Glycine 0 CA--C 1.529 0.92 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 50' ' ' GLY . 1.6 t-20 -150.63 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 0.721 . . . . 0.0 109.377 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' ASN . . . -32.87 -44.29 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.464 1.103 . . . . 0.0 110.974 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.582 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 38.7 t80 -106.78 150.78 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 0.748 . . . . 0.0 110.965 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -140.77 150.87 43.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 110.296 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -116.6 150.43 45.59 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 108.25 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.567 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.05 174.08 13.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.448 1.762 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 m -62.4 132.13 51.54 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.445 1.09 . . . . 0.0 110.366 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 90.68 -6.52 82.06 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.463 1.102 . . . . 0.0 110.986 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.567 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 52.6 m-85 -115.87 157.05 25.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.3 mpp_? -150.47 125.35 9.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.4 OUTLIER -35.78 140.56 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 54.6 m . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 108.348 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 2.3 mtm180 -97.66 156.54 16.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.165 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 2' ' ' ARG . 0.5 OUTLIER 76.72 157.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 108.32 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.401 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.2 ttp180 -112.34 96.01 5.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.353 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -47.98 115.79 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.955 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.3 m -122.14 164.76 17.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -102.6 107.78 18.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -124.4 162.64 23.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 108.33 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -85.76 152.59 22.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 108.358 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -105.56 7.56 32.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 84.39 -24.69 6.14 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -89.74 44.72 1.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.582 HD22 ' H ' ' A' ' 13' ' ' LEU . 2.5 mm? 31.9 54.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -152.12 78.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.7 137.8 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.8 p -149.54 164.46 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.7 OUTLIER -88.34 130.89 35.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.58 155.94 36.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.57 1.168 . . . . 0.0 109.334 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.8 t -96.87 83.33 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 108.32 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.545 HD23 ' HB3' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -113.53 158.82 20.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -97.27 172.03 8.05 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -32.23 73.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.04 2.68 19.71 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.545 ' HB3' HD23 ' A' ' 20' ' ' LEU . 12.6 tt0 -123.06 147.0 47.19 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.444 1.09 . . . . 0.0 110.313 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.25 151.16 51.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.994 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.54 170.47 14.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.446 1.091 . . . . 0.0 108.291 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.783 HD21 ' CE1' ' A' ' 44' ' ' TYR . 3.5 tt -60.28 90.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.173 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -80.99 148.07 63.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.76 1.07 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.016 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.58 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.39 142.06 9.46 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.95 100.39 10.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 67.9 m -89.18 118.82 29.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 108.327 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.5 m -110.69 139.12 46.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.545 1.153 . . . . 0.0 108.347 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 35' ' ' GLY . 2.5 tmm_? -137.96 126.26 23.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 50.48 -93.62 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.507 1.13 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 pttt -132.5 48.46 2.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.279 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 m -151.42 154.89 37.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.96 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 37.6 ttp180 -132.94 151.79 52.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.273 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.416 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 53.1 tp -150.03 110.56 4.24 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 12.4 m -101.47 102.02 12.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.441 1.088 . . . . 0.0 110.452 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.86 169.4 21.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.576 ' O ' HD12 ' A' ' 41' ' ' LEU . 67.2 m -90.94 134.68 34.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 108.396 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.5 116.01 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.783 ' CE1' HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -92.54 161.67 14.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 164.07 152.86 7.12 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.7 9.46 2.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.23 100.04 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.536 1.147 . . . . 0.0 111.035 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -37.99 -32.74 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -113.4 79.85 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 164.75 172.98 32.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 66.1 t80 -109.7 150.14 28.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 0.754 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.0 tp60 -149.3 126.99 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.357 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -70.17 150.92 96.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.164 . . . . 0.0 108.305 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -75.04 170.02 21.33 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.29 126.15 27.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.356 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.14 -2.09 65.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 58.9 m-85 -114.87 158.2 22.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -150.24 129.92 13.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.468 1.105 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -38.69 143.62 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.588 1.18 . . . . 0.0 108.283 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -123.03 160.25 26.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -175.17 160.89 2.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.89 89.16 3.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 5.2 m-85 -43.78 112.67 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 2.4 m -116.06 164.0 15.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.43 1.081 . . . . 0.0 110.402 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -100.32 107.86 19.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -120.82 165.85 14.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 108.26 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -99.8 155.66 17.53 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.447 1.092 . . . . 0.0 108.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.36 -8.99 52.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.535 ' CA ' HD13 ' A' ' 27' ' ' LEU . . . 92.95 -35.1 4.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.132 . . . . 0.0 111.025 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 13' ' ' LEU . . . -152.73 76.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 0.802 . . . . 0.0 109.295 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 12' ' ' ALA . 1.2 tp 177.6 -95.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 109.228 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.87 145.24 6.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.469 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -63.22 138.67 58.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.33 166.58 2.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.337 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.9 OUTLIER -90.2 132.1 35.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -130.17 157.77 41.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 18.5 t -95.08 88.47 5.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 108.353 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.873 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -111.5 166.42 11.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.645 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.9 m170 -108.3 171.73 7.24 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.528 1.142 . . . . 0.0 109.657 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.2 -30.17 67.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.298 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 1.96 20.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -129.3 154.93 46.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.306 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.5 p -131.21 168.5 17.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.073 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.873 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -146.63 174.03 11.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.474 1.109 . . . . 0.0 108.362 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.635 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 1.1 tt -62.71 79.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 29' ' ' PRO . 69.0 t -76.4 143.2 72.26 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.04 -172.63 1.31 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.522 1.801 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.605 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.8 144.62 12.41 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.31 106.96 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 0.744 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 31.9 m -89.9 118.61 29.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 108.231 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.6 p -112.98 143.35 44.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 108.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.66 125.04 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.11 -88.3 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.502 1.126 . . . . 0.0 111.078 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -148.47 29.72 0.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.27 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.1 m -139.02 121.27 15.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -124.24 146.05 48.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.947 HD11 ' CE1' ' A' ' 57' ' ' TYR . 0.6 OUTLIER -151.2 150.75 30.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.379 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.948 ' O ' HD23 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -114.64 124.91 53.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.43 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.948 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.15 -174.22 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 32.5 m -114.48 117.45 31.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 108.248 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 78.1 p -160.62 103.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.059 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.635 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.8 m-85 -102.9 179.81 4.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 111.054 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.79 -86.34 1.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -157.1 147.25 20.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 0.736 . . . . 0.0 110.296 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 56.3 47.54 81.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 48.03 80.36 0.06 OUTLIER Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 50' ' ' GLY . 11.3 t-20 -114.75 62.95 0.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.795 . . . . 0.0 109.358 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.6 ' O ' ' CD2' ' A' ' 44' ' ' TYR . . . 37.42 -109.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 111.044 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -112.96 164.44 13.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -144.47 72.36 1.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.363 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 22.2 m -52.34 122.68 25.85 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 108.227 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -178.97 4.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.44 1.758 . . . . 0.0 111.043 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.1 m -60.71 129.63 42.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.37 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 95.82 0.92 61.95 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.947 ' CE1' HD11 ' A' ' 39' ' ' LEU . 38.3 m-85 -125.92 150.1 48.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 0.786 . . . . 0.0 111.05 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -137.8 101.71 4.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 110.33 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 2.0 tt0 -35.48 124.08 0.65 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 108.299 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 -84.83 163.86 18.8 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.13 159.55 44.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 108.332 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' TYR . 2.9 mtt85 -119.98 84.41 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' ARG . 3.8 p90 -36.49 105.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.1 152.25 27.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.39 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mt -90.82 107.43 19.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m -106.85 153.21 22.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.334 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.523 ' HB2' HD12 ' A' ' 27' ' ' LEU . 50.5 m -86.87 156.84 19.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 108.292 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.03 30.59 2.38 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.23 -18.29 37.68 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' O ' ' SG ' ' A' ' 42' ' ' CYS . . . -122.28 -135.07 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -91.93 -20.61 21.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' N ' HD22 ' A' ' 13' ' ' LEU . 27.1 mtmt -65.79 112.96 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -120.14 138.62 53.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 10.6 p -143.48 166.64 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -93.33 135.57 34.43 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.4 148.09 52.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.8 t -89.93 80.56 6.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 108.262 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.507 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -101.12 157.3 16.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 31.7 m-70 -102.03 176.8 5.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.615 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -28.73 66.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.339 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.9 2.53 19.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' O ' HD11 ' A' ' 20' ' ' LEU . 11.5 tp10 -125.12 154.15 41.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.4 p -145.17 135.31 23.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.591 1.182 . . . . 0.0 109.951 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -121.5 175.1 6.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD21 ' CE2' ' A' ' 44' ' ' TYR . 1.8 tm? -70.16 89.67 0.64 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.699 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.7 p -74.67 142.97 77.95 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.699 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.5 Cg_endo -75.02 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.547 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.02 148.45 19.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.6 m-20 -106.07 110.83 23.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 0.785 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 53.5 m -89.12 123.04 33.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 108.331 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -104.43 134.82 46.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 108.316 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -130.2 103.28 6.63 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 0.0 110.397 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.56 -86.52 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.455 1.097 . . . . 0.0 110.999 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -133.95 20.05 3.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 0.801 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.8 m -119.02 157.87 26.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -138.46 145.3 40.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -149.1 147.88 29.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.658 ' O ' HD23 ' A' ' 41' ' ' LEU . 34.3 m -117.52 124.2 48.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.911 HD11 HD11 ' A' ' 39' ' ' LEU . 64.6 mt -150.13 178.27 9.13 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 12' ' ' ALA . 3.6 m -110.43 119.09 38.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 108.265 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -152.39 140.91 20.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.034 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE2' HD21 ' A' ' 27' ' ' LEU . 13.1 m-85 -110.01 172.79 6.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.83 -156.79 21.39 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.452 1.095 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 59.16 152.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.764 . . . . 0.0 110.256 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.21 48.7 3.64 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.12 -100.6 0.14 Allowed Glycine 0 CA--C 1.531 1.072 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -151.29 106.2 3.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 0.773 . . . . 0.0 109.264 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -174.84 147.87 9.32 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.143 . . . . 0.0 110.999 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.587 ' CE2' ' O ' ' A' ' 52' ' ' GLN . 71.2 t80 -69.4 149.83 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 0.775 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.587 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -126.33 -177.21 3.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -134.25 152.27 77.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.342 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.573 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -74.98 172.03 17.16 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.467 1.772 . . . . 0.0 110.966 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 t -64.68 129.8 41.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.419 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.485 ' C ' HH21 ' A' ' 58' ' ' ARG . . . 91.01 -2.96 80.31 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.573 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 59.6 m-85 -115.0 160.44 19.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.787 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.485 HH21 ' C ' ' A' ' 56' ' ' GLY . 0.9 OUTLIER -150.76 125.17 9.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.295 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.5 tt0 -37.24 141.68 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.312 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -130.95 159.19 38.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.25 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.462 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER -43.56 128.14 5.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 108.314 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.549 ' O ' HG23 ' A' ' 6' ' ' THR . 0.0 OUTLIER -109.71 88.93 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 19' ' ' CYS . 37.3 m-85 -36.27 97.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.415 1.072 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 4' ' ' ARG . 0.6 OUTLIER -102.84 143.64 32.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.431 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.12 100.37 10.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 m -102.77 155.31 18.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.08 . . . . 0.0 108.303 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -101.98 133.69 46.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 108.312 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' C ' ' N ' ' A' ' 12' ' ' ALA . 3.0 p-10 -90.15 3.47 53.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 45.4 23.45 0.81 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.594 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.0 47.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.405 0.709 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER 157.04 -83.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.712 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -166.86 -178.8 4.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.64 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -79.08 125.77 29.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.238 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.82 159.7 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.574 1.171 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -79.35 144.22 34.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.949 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -139.62 136.95 34.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 53.4 t -92.01 85.47 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 108.237 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD23 ' CG ' ' A' ' 24' ' ' GLU . 4.0 mp -116.27 158.57 23.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.359 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 63.1 m80 -103.35 -179.11 3.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.118 . . . . 0.0 109.563 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -65.2 -27.82 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.33 0.16 30.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.594 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.6 tp10 -127.19 153.19 46.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.97 138.65 20.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.054 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -124.9 173.23 8.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 108.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.832 HD21 ' CE1' ' A' ' 44' ' ' TYR . 11.6 tp -61.94 82.17 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.953 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -74.85 153.56 86.98 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.319 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.953 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.92 -172.33 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.42 154.81 25.98 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.506 1.128 . . . . 0.0 111.048 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.549 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 1.1 m-20 -104.41 124.36 49.09 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.502 0.766 . . . . 0.0 109.338 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 52.4 m -103.71 117.39 34.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 108.256 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 128.66 44.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 108.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.814 HH21 ' HA3' ' A' ' 56' ' ' GLY . 6.5 ttm180 -127.74 89.71 2.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.5 -84.21 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.528 1.142 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.86 20.94 3.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.271 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 m -126.83 111.58 14.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.937 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.7 ' C ' HD22 ' A' ' 39' ' ' LEU . 2.8 ptm180 -93.37 147.41 22.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.7 HD22 ' C ' ' A' ' 38' ' ' ARG . 3.4 mm? -138.2 161.13 37.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.952 ' O ' HD23 ' A' ' 41' ' ' LEU . 12.6 m -144.19 107.2 4.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.952 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.88 -179.18 7.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.0 m -104.81 126.83 52.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 108.358 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.9 m -160.67 121.96 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.999 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.832 ' CE1' HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -89.91 161.55 15.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.05 -134.55 5.12 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -80.16 11.53 3.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.803 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 49' ' ' ASN . . . -163.13 93.94 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' GLY . . . -36.86 -30.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' GLY . 13.1 m120 -89.54 43.9 1.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.775 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 47' ' ' GLY . . . 178.26 78.24 0.06 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.605 ' CE1' ' O ' ' A' ' 52' ' ' GLN . 6.2 t80 -43.31 150.24 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 0.744 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.605 ' O ' ' CE1' ' A' ' 51' ' ' PHE . 0.9 OUTLIER -137.2 -170.21 2.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.9 m -127.76 147.01 61.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 108.287 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.02 175.61 11.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.794 . . . . 0.0 110.976 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 21.3 m -61.21 132.03 52.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.814 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 91.79 -4.44 78.85 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 44.4 m-85 -120.6 151.72 39.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.499 0.764 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -142.51 119.89 11.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 110.254 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.7 pt20 -36.72 126.61 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 108.301 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.483 ' C ' ' CG ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.483 ' CG ' ' C ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER 167.51 163.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -57.12 159.2 4.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 108.314 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 8.4 tpp180 -105.6 89.73 3.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.233 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -41.6 114.4 0.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.421 ' O ' ' HA ' ' A' ' 17' ' ' SER . 4.2 m -117.01 166.35 12.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -103.41 107.38 18.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.235 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.7 m -117.72 156.97 27.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 108.274 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 m -89.7 160.17 16.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -88.8 -7.18 56.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.74 -34.1 3.99 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' LEU . . . -152.71 68.66 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 0.753 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER -179.97 -96.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.246 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.42 -176.17 5.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.43 128.36 49.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.25 171.81 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.4 m -92.41 134.36 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -125.78 158.86 33.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 46.4 t -100.64 89.75 4.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 108.24 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.778 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -124.49 166.19 16.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 64.6 m80 -114.09 -179.49 3.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.632 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.65 -26.02 64.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.2 -0.77 33.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.507 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 4.0 tp10 -130.58 156.48 44.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 84.6 p -136.13 171.35 14.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.778 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -151.91 173.73 14.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 108.311 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.788 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -65.54 92.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.429 1.081 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.714 HG13 ' HD2' ' A' ' 29' ' ' PRO . 75.1 t -78.61 143.38 63.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.714 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.0 Cg_endo -75.05 -171.08 0.89 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -149.13 152.97 24.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.565 1.165 . . . . 0.0 110.975 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.663 ' OD1' HG23 ' A' ' 40' ' ' THR . 0.3 OUTLIER -119.54 106.13 11.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 0.74 . . . . 0.0 109.3 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.496 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 4.4 m -89.27 125.01 34.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.444 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 14.9 p -123.16 149.17 44.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 108.296 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 4.1 tpm_? -157.31 126.25 5.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.2 -92.13 0.31 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.59 24.28 2.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.2 m -128.21 153.38 46.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.046 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 32.5 ttp180 -150.14 150.67 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.359 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.513 HD11 ' CD1' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -151.45 141.25 21.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.663 HG23 ' OD1' ' A' ' 31' ' ' ASP . 20.1 m -120.37 125.32 47.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.4 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.513 ' CD1' HD11 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -150.59 -169.9 3.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 21.0 m -122.42 113.46 19.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 108.298 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 m -161.48 130.22 4.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.788 ' CE1' HD11 ' A' ' 27' ' ' LEU . 9.8 m-85 -131.18 -178.51 4.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -158.61 -88.88 0.07 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.979 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -124.06 149.69 45.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -38.51 -47.54 2.21 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -42.26 -44.14 4.86 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -130.78 84.74 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.56 -72.34 0.22 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 110.966 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 2.2 t80 -75.88 154.89 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -113.15 92.46 4.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 68.0 m -83.62 135.06 43.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.549 1.156 . . . . 0.0 108.328 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 168.67 24.29 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.53 1.805 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.2 m -61.87 128.89 38.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.436 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.49 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 94.94 1.57 63.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.496 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 34.1 m-85 -128.87 144.37 51.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 0.748 . . . . 0.0 110.964 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 15.3 ptm180 -142.8 128.35 19.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.559 1.162 . . . . 0.0 110.324 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 58' ' ' ARG . 14.0 pt20 -37.18 132.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.542 1.151 . . . . 0.0 108.286 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER -39.48 159.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.25 162.25 33.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 108.268 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.41 ' O ' ' OG1' ' A' ' 6' ' ' THR . 4.1 mtt180 -111.86 95.82 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -47.77 107.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 17' ' ' SER . 2.5 m -108.51 164.99 11.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.419 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.4 107.97 20.43 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.25 155.94 20.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.33 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.1 m -98.85 159.05 15.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 108.292 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -89.94 15.03 10.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.673 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . 83.8 -14.95 39.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.584 1.178 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.08 -131.48 0.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 0.721 . . . . 0.0 109.231 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.947 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.26 -25.6 21.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 109.231 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.947 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -63.41 155.36 29.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.54 131.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.671 HG22 ' H ' ' A' ' 17' ' ' SER . 1.7 p -148.8 -174.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.671 ' H ' HG22 ' A' ' 16' ' ' VAL . 1.3 m -101.66 134.8 44.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.79 159.06 28.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.0 t -94.09 86.2 4.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 108.299 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.565 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -115.96 157.18 24.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.419 ' N ' ' HG ' ' A' ' 20' ' ' LEU . 48.9 m80 -103.81 178.59 4.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.596 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.63 -27.89 65.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.95 2.12 21.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.48 155.66 40.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.75 124.94 13.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.565 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.3 p -109.05 178.32 4.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 108.386 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.673 HD23 ' HA2' ' A' ' 11' ' ' GLY . 7.9 tp -72.96 80.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.425 1.078 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.765 HG13 ' HD2' ' A' ' 29' ' ' PRO . 53.5 t -67.88 144.26 97.1 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.765 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.94 -168.28 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.71 152.16 24.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 6.8 m-20 -105.72 124.42 49.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.7 m -101.84 116.19 32.17 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 108.306 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.3 m -93.99 123.83 37.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 108.303 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.57 HH21 ' HA3' ' A' ' 56' ' ' GLY . 7.4 ttm180 -120.31 89.06 3.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.52 -84.21 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.91 26.47 4.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -136.2 105.46 6.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.37 149.17 22.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.573 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 2.0 mt -140.53 162.65 34.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.7 m -140.9 107.87 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 110.387 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.76 172.95 15.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' N ' HD12 ' A' ' 41' ' ' LEU . 2.7 m -88.96 115.09 26.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 108.332 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.1 t -160.32 95.56 1.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.978 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.536 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 7.7 m-85 -103.79 168.45 9.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.471 ' O ' ' O ' ' A' ' 46' ' ' GLU . . . -85.55 14.46 51.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER 52.29 109.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 0.748 . . . . 0.0 110.28 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 31.71 45.06 0.15 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.45 -108.67 3.15 Favored Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -150.85 73.55 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.84 -120.01 5.8 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 1.5 t80 -111.94 161.77 16.06 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.563 0.802 . . . . 0.0 111.06 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -150.52 75.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -47.6 151.48 1.46 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 108.338 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.01 177.06 9.1 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.468 1.772 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.5 t -60.52 134.27 56.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.403 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.57 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 85.82 -2.22 87.84 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.467 1.104 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.455 ' CD1' ' HB2' ' A' ' 34' ' ' ARG . 44.1 m-85 -123.59 153.2 41.02 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.453 0.737 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.8 ptm180 -150.03 125.98 10.53 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.2 pt20 -34.84 142.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.092 . . . . 0.0 110.311 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 108.322 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 58.13 158.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.486 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 4.9 p -94.1 173.77 7.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 108.353 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.426 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 13.6 mmm180 -88.46 -144.15 0.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -177.68 114.33 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 111.023 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -141.83 172.39 12.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 27.6 mt -101.2 103.25 14.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m -102.54 154.21 19.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.439 1.087 . . . . 0.0 108.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 71.7 m -78.01 156.07 30.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.434 1.084 . . . . 0.0 108.351 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -93.55 21.47 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 68.76 4.32 39.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.942 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -141.54 44.35 1.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 0.76 . . . . 0.0 109.261 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.798 ' C ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER 79.57 -53.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 10' ' ' ASP . 22.1 mtmt -38.33 144.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -135.06 115.97 14.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -122.84 161.95 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -86.99 125.17 33.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -120.49 158.47 27.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.359 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 4' ' ' ARG . 5.5 t -104.21 88.26 2.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 108.307 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.89 160.85 16.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.509 ' CD2' ' N ' ' A' ' 21' ' ' HIS . 1.9 m170 -95.28 171.26 8.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -66.9 -32.39 73.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.15 2.73 19.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -125.32 147.75 49.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.3 m -137.33 140.86 41.76 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.524 1.14 . . . . 0.0 110.0 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -116.76 175.79 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 108.285 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' HG ' ' CZ ' ' A' ' 44' ' ' TYR . 5.3 tp -65.9 89.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.744 HG13 ' HD2' ' A' ' 29' ' ' PRO . 74.0 t -79.86 143.81 58.66 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.744 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.07 -169.57 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.973 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.61 152.2 24.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.586 1.179 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.11 109.15 20.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 0.747 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.2 m -88.96 110.86 21.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 108.361 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' ARG . 29.1 p -116.8 141.39 48.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 108.279 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -160.79 128.24 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.258 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.01 -95.46 0.28 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.437 1.086 . . . . 0.0 110.991 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.8 pttt -139.2 26.73 2.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 0.791 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 p -135.08 140.81 45.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 110.045 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 28.3 ttp180 -144.51 150.37 37.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 4.1 tp -151.08 142.05 22.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 27.7 m -114.47 110.16 19.41 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.403 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -151.56 173.18 14.94 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.103 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.432 ' N ' HD12 ' A' ' 41' ' ' LEU . 4.0 m -89.02 115.97 26.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 108.392 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.1 t -155.0 88.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.508 ' CZ ' ' HG ' ' A' ' 27' ' ' LEU . 1.6 m-85 -100.7 168.49 9.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -119.6 -143.16 6.93 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -116.91 138.36 51.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.5 0.764 . . . . 0.0 110.265 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 153.79 -55.24 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.55 -63.39 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -150.06 92.31 1.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -165.74 172.06 41.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.5 1.125 . . . . 0.0 111.059 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -107.02 166.09 10.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 111.06 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -141.64 71.51 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.7 m -54.11 131.56 59.79 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.496 1.122 . . . . 0.0 108.296 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.03 176.31 10.09 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.506 1.793 . . . . 0.0 110.977 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.8 m -60.83 127.03 29.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' A' ' 34' ' ' ARG . . . 95.96 4.21 60.25 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.51 1.132 . . . . 0.0 111.056 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 40.5 m-85 -129.25 154.33 46.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.534 0.785 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' CYS . 3.3 tmt_? -145.29 111.38 5.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.302 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 3.7 pt20 -36.75 126.05 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.296 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 108.342 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.6 mtt180 -69.15 158.72 34.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 61.66 165.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 108.286 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 5' ' ' TYR . 20.7 mtp180 -106.3 61.72 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 4' ' ' ARG . 43.2 p90 -35.81 125.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 111.059 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.53 172.49 12.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' N ' ' OG1' ' A' ' 6' ' ' THR . 2.5 mp -105.37 114.65 28.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 84.1 m -121.45 164.0 17.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.327 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.939 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -109.53 148.34 31.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.598 1.186 . . . . 0.0 108.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.443 ' OD2' HD12 ' A' ' 13' ' ' LEU . 3.3 t70 -89.3 -10.8 45.44 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' CA ' ' OH ' ' A' ' 44' ' ' TYR . . . 86.38 -25.79 6.86 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.546 1.154 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -150.95 83.59 1.33 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.469 0.746 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.2 OUTLIER 165.69 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.342 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 179.1 133.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.095 . . . . 0.0 109.362 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.939 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -54.15 140.42 32.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.157 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -150.15 163.27 3.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -93.14 131.04 38.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -128.28 157.46 40.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 t -93.08 82.4 4.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 108.364 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.64 ' C ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -97.46 158.3 15.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 42.9 m80 -103.17 -178.04 3.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.554 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.49 -27.61 69.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 24' ' ' GLU . 2.2 p -78.82 -77.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.038 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' SER . 26.1 tp10 -35.96 153.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.3 t -142.62 152.61 42.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.072 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -139.53 174.66 10.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.43 94.13 6.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -80.16 143.58 56.99 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.7 Cg_endo -74.92 -171.37 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.533 1.807 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 161.94 28.8 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -109.53 111.41 22.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 88.0 m -89.58 125.86 35.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.37 136.33 41.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 108.296 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -133.8 114.25 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.263 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.45 -94.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.468 1.105 . . . . 0.0 111.02 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.5 pttt -127.3 43.63 3.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.779 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 m -149.3 162.49 39.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.966 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -147.44 147.99 30.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.687 HD21 ' HE2' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -151.3 143.81 24.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.94 ' O ' HD23 ' A' ' 41' ' ' LEU . 19.7 m -116.04 121.79 43.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.414 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.94 HD23 ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.52 -175.81 5.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 29' ' ' PRO . 5.2 m -113.42 123.96 51.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 108.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -160.04 142.48 13.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.033 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.441 ' OH ' ' CA ' ' A' ' 11' ' ' GLY . 30.1 m-85 -101.0 172.52 6.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.472 ' HA3' ' CB ' ' A' ' 52' ' ' GLN . . . 178.01 73.79 0.06 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.509 1.131 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -179.72 155.06 0.62 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.79 . . . . 0.0 110.287 179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.56 48.33 3.65 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -172.53 -104.13 0.17 Allowed Glycine 0 CA--C 1.529 0.956 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.445 ' N ' ' OE1' ' A' ' 46' ' ' GLU . 5.3 m-80 -151.35 105.25 3.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -171.12 168.09 41.23 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 71.5 t80 -98.17 149.16 22.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 0.78 . . . . 0.0 110.991 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' CB ' ' HA3' ' A' ' 45' ' ' GLY . 2.8 tp60 -150.58 155.6 39.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 110.362 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.7 m -91.59 152.88 43.86 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.594 1.184 . . . . 0.0 108.25 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 167.21 27.55 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.449 1.762 . . . . 0.0 111.006 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 16.0 m -64.75 127.76 32.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.22 -5.38 61.02 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.687 ' HE2' HD21 ' A' ' 39' ' ' LEU . 42.6 m-85 -113.87 177.32 4.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.8 OUTLIER -147.61 -179.99 7.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.03 122.81 32.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.287 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 108.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.74 156.68 46.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 42.4 t -43.74 140.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 108.324 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.466 ' CZ ' ' HG3' ' A' ' 22' ' ' GLU . 0.9 OUTLIER -89.45 -146.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 17' ' ' SER . 84.6 t80 -178.15 106.06 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.0 m -140.65 166.56 24.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.349 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.88 99.62 11.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.11 . . . . 0.0 109.352 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.2 m -98.19 161.15 13.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.457 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -99.08 144.32 28.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 108.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.73 -13.56 39.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.14 -25.06 7.24 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.448 1.093 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 70.28 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.763 . . . . 0.0 109.371 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER 177.45 -93.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.405 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -178.06 132.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.457 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -45.17 124.69 4.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.242 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.6 p -137.27 163.02 32.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CE1' ' A' ' 5' ' ' TYR . 1.3 p -74.09 133.67 42.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.88 157.54 45.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 109.24 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' C ' ' SG ' ' A' ' 3' ' ' CYS . 32.8 t -107.6 108.32 19.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 108.299 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.55 HD11 ' O ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -128.46 158.29 38.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.257 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.547 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 18.8 m-70 -93.18 170.45 9.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.629 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' HG3' ' CZ ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -68.28 -31.72 71.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.88 3.66 16.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.927 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.55 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -124.12 152.87 42.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.24 129.45 31.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.996 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.518 ' SG ' HD13 ' A' ' 20' ' ' LEU . 1.3 p -106.46 176.27 5.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 108.252 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 ' HG ' ' CE2' ' A' ' 44' ' ' TYR . 3.6 tp -68.9 76.66 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.932 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -74.0 149.5 87.56 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.932 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.0 -169.46 0.64 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CD2' ' A' ' 51' ' ' PHE . . . -148.36 140.1 8.1 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.475 1.109 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 5.1 m-20 -89.23 107.0 18.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 0.797 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 m -90.05 121.56 32.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 8.5 m -104.55 143.96 32.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 108.261 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.647 HH21 ' HA2' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -150.61 126.84 10.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.297 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.31 -99.16 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 110.954 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -127.83 51.41 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 0.726 . . . . 0.0 109.265 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 m -157.79 156.32 31.34 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 110.001 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -149.65 146.51 27.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.819 HD13 ' CD1' ' A' ' 41' ' ' LEU . 2.3 pp -151.93 150.29 29.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 1.167 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 40' ' ' THR . 0.5 OUTLIER -114.07 114.06 25.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.378 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.819 ' CD1' HD13 ' A' ' 39' ' ' LEU . 4.8 mt -142.79 -175.22 4.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 44' ' ' TYR . 73.6 m -111.32 124.45 52.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 108.303 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 52' ' ' GLN . 31.8 t -155.85 90.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 42' ' ' CYS . 1.2 m-85 -105.68 165.91 10.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.76 143.08 13.32 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.546 1.154 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -53.08 150.72 5.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 0.769 . . . . 0.0 110.293 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.84 79.95 0.1 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.56 109.7 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -88.52 72.24 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.357 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' PHE . . . -163.24 139.88 6.16 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.104 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 13.2 t80 -36.62 151.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -133.56 108.84 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.173 . . . . 0.0 110.278 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.9 m -82.42 135.86 46.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 108.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.6 Cg_endo -75.01 176.39 9.98 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.516 1.798 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -61.3 131.02 49.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.647 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 92.32 -1.43 73.03 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.465 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.9 m-85 -123.23 153.89 39.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 0.791 . . . . 0.0 110.994 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 33' ' ' CYS . 6.9 ptp180 -147.74 123.21 10.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.5 OUTLIER -36.79 140.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 110.372 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 31' ' ' ASP . 34.6 m . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 108.325 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 2' ' ' ARG . 62.3 m-20 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.45 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 0.7 OUTLIER 57.7 158.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.579 ' HB3' ' CD2' ' A' ' 21' ' ' HIS . 3.0 p 164.13 168.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 108.295 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -108.08 95.83 5.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.401 1.063 . . . . 0.0 110.322 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 98.9 m-85 -52.13 132.65 33.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.951 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 m -142.84 163.49 32.64 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -96.7 116.59 29.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 76.9 m -126.33 165.26 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 108.33 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.803 ' CB ' HD23 ' A' ' 27' ' ' LEU . 4.1 m -85.06 159.12 20.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.535 1.147 . . . . 0.0 108.281 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.428 ' CB ' ' HG3' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -100.14 42.32 1.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.542 ' CA ' HD22 ' A' ' 27' ' ' LEU . . . 91.01 -23.93 21.14 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.406 1.066 . . . . 0.0 110.991 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -123.85 -133.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.68 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.1 tm? -92.6 -32.71 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.23 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HG3' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -50.3 101.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -84.69 129.92 34.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -132.12 154.5 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 p -87.43 133.83 33.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.974 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.29 163.83 30.79 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.45 1.094 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.53 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 4.2 t -116.57 97.68 6.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.313 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.527 HD22 ' SG ' ' A' ' 26' ' ' CYS . 3.8 mp -116.81 156.72 26.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.579 ' CD2' ' HB3' ' A' ' 3' ' ' CYS . 2.9 m170 -90.49 173.6 7.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.62 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -65.46 -32.3 73.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 110.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.45 2.9 20.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.026 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -124.5 157.2 35.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.66 137.91 21.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -111.29 173.09 6.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 108.33 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.803 HD23 ' CB ' ' A' ' 9' ' ' CYS . 4.5 tp -58.86 84.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.726 HG13 ' HD2' ' A' ' 29' ' ' PRO . 79.0 t -78.06 143.52 65.9 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.726 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.02 -174.28 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.481 1.779 . . . . 0.0 110.983 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.588 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.93 165.73 29.78 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.513 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 17.4 m-20 -108.12 125.56 51.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 0.714 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.6 m -106.93 117.3 33.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.306 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -101.2 131.94 46.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.153 . . . . 0.0 108.256 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' LYS . 1.9 tmm_? -133.13 126.95 32.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 110.318 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 34' ' ' ARG . . . 39.38 -94.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ARG . 15.5 pttp -127.49 54.24 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 0.738 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -158.56 159.14 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.907 ' C ' HD22 ' A' ' 39' ' ' LEU . 6.7 tmm_? -134.96 150.53 50.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.349 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.907 HD22 ' C ' ' A' ' 38' ' ' ARG . 3.6 mm? -141.59 162.1 36.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 109.273 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.965 ' O ' HD23 ' A' ' 41' ' ' LEU . 2.5 m -143.38 103.78 4.16 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.965 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -151.09 -172.41 4.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.082 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 43.5 m -108.52 132.26 54.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 108.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.5 t -161.51 99.53 1.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.1 . . . . 0.0 110.004 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.607 ' CE2' HD12 ' A' ' 27' ' ' LEU . 6.4 m-85 -103.26 177.04 4.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -141.82 -131.89 2.69 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 3.3 pm0 -123.04 130.59 52.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 0.77 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.33 -67.55 0.23 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.469 1.106 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.64 -75.09 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -150.05 102.89 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 0.816 . . . . 0.0 109.299 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.25 165.93 36.69 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.406 1.066 . . . . 0.0 111.014 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.588 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 2.1 t80 -83.17 160.23 21.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.764 . . . . 0.0 111.068 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' SER . 5.1 tm0? -143.47 71.43 1.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.2 m -45.58 153.97 0.56 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 108.328 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.576 ' HG2' ' CD1' ' A' ' 57' ' ' TYR . 18.0 Cg_endo -75.03 169.51 22.44 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.4 t -63.85 129.33 39.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.604 1.19 . . . . 0.0 110.418 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.17 -11.26 67.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.576 ' CD1' ' HG2' ' A' ' 54' ' ' PRO . 63.4 m-85 -107.13 166.37 10.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.5 mtp85 -150.76 124.13 8.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 7.8 mt-30 -39.32 127.69 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 108.299 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.1 mtm-85 -147.25 155.57 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.32 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.5 t 65.84 135.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 108.306 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -95.32 77.67 3.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.559 ' CE1' ' SG ' ' A' ' 19' ' ' CYS . 93.7 m-85 -50.73 117.51 2.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -131.65 162.73 29.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 110.408 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -90.06 118.87 29.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 78.6 m -130.36 166.81 19.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 2.2 m -102.1 148.19 25.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 108.308 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.6 -6.49 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 109.267 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.17 -32.92 4.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.531 1.145 . . . . 0.0 110.972 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.435 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -151.73 88.37 1.41 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 0.6 OUTLIER 169.01 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 15' ' ' ALA . 0.0 OUTLIER 179.6 123.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -37.04 119.21 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.26 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.723 HG13 ' N ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -130.2 -169.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.723 ' N ' HG13 ' A' ' 16' ' ' VAL . 22.2 p -88.46 153.71 20.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.017 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -141.24 152.81 44.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.559 ' SG ' ' CE1' ' A' ' 5' ' ' TYR . 6.1 t -114.0 93.23 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.242 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 19' ' ' CYS . 6.2 mp -128.48 160.5 32.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -90.98 -177.97 5.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.604 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.45 -30.07 70.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.564 1.165 . . . . 0.0 110.288 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -79.55 -78.06 0.17 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG3' ' CD2' ' A' ' 20' ' ' LEU . 8.5 tp10 -38.36 151.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.413 ' N ' HD23 ' A' ' 20' ' ' LEU . 1.3 m -140.61 164.86 29.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.953 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -137.59 170.86 15.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.345 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 6.4 tp -69.1 91.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.715 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.4 p -65.97 143.4 98.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.715 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.5 Cg_endo -74.88 -168.61 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.448 1.762 . . . . 0.0 111.074 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.64 140.7 8.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.17 118.83 37.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.5 m -99.99 115.54 29.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 108.253 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -95.29 122.61 38.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.167 . . . . 0.0 108.306 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 36' ' ' LYS . 5.8 ttp180 -114.55 108.44 16.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 56.49 -86.1 0.01 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.441 1.088 . . . . 0.0 111.02 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -132.88 38.6 3.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 0.79 . . . . 0.0 109.345 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 33' ' ' CYS . 1.3 m -143.99 165.26 28.27 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.487 1.117 . . . . 0.0 110.016 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.412 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 41.9 ttp180 -134.21 150.87 51.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.164 . . . . 0.0 110.253 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 57' ' ' TYR . 20.4 mt -146.15 103.93 3.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.1 m -93.39 110.22 21.77 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.581 1.175 . . . . 0.0 110.386 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -150.48 172.05 16.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 41' ' ' LEU . 1.7 m -89.06 115.24 26.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 108.33 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.558 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 16.5 t -159.04 95.07 1.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.004 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.569 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 1.4 m-85 -89.88 163.41 15.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -45.38 -24.85 1.09 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.445 1.091 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 62.71 9.05 3.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.563 0.802 . . . . 0.0 110.322 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.28 -105.62 0.66 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.522 1.139 . . . . 0.0 110.999 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.66 47.25 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -146.44 55.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 38.13 -106.22 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 15.5 t80 -112.19 152.68 28.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.759 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.35 125.13 9.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.389 1.056 . . . . 0.0 110.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.27 153.89 76.9 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 108.27 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.558 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.97 175.85 10.68 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.4 m -62.72 134.04 55.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 110.401 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.79 -4.73 84.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 47.1 m-85 -116.45 149.73 39.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 111.038 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' GLN . 14.1 ptm180 -145.42 125.4 13.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.154 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -37.59 127.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 108.288 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -87.87 164.52 15.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.6 1.188 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.578 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 80.32 157.98 0.15 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 108.272 179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 93.89 4.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -41.43 123.23 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.181 . . . . 0.0 111.039 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.0 m -135.56 168.75 18.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.495 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -106.55 133.79 50.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 71.0 m -133.99 164.71 26.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 108.275 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.622 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 1.7 m -106.54 147.48 29.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 108.257 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.68 -13.75 38.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 86.03 -25.38 6.9 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.565 1.166 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -150.6 71.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.293 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 173.35 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -172.05 153.89 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.299 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.622 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -72.32 119.37 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.379 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -120.82 176.44 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -107.48 149.75 27.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.67 164.3 36.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.7 t -89.77 87.09 6.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 108.333 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.751 HD23 ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -92.96 172.81 8.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.597 1.186 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.578 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 51.3 m80 -132.26 -177.23 4.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.646 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -51.75 -36.52 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.465 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.4 OUTLIER -84.46 12.22 7.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.751 ' CG ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -33.77 142.1 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.3 p -151.79 91.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.521 ' SG ' ' CD2' ' A' ' 20' ' ' LEU . 6.2 p -145.66 -178.11 5.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.4 tp -91.71 86.71 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.954 HG22 ' HD2' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -75.93 150.23 83.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.398 1.061 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.954 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.08 -173.0 1.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.604 1.844 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' CA ' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.71 157.22 27.14 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.419 1.074 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.32 109.78 21.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.546 0.792 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 29.5 m -89.45 117.83 28.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 108.277 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.09 119.6 33.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 108.34 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.785 HH21 ' HA3' ' A' ' 56' ' ' GLY . 7.1 ttm180 -113.06 88.92 2.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 66.42 -78.83 0.12 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.33 24.2 2.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 m -134.59 104.59 6.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -94.51 144.45 25.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.132 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.038 HD21 HD23 ' A' ' 41' ' ' LEU . 0.0 OUTLIER -146.24 129.25 16.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 30' ' ' GLY . 19.2 m -106.37 114.07 27.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.038 HD23 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.65 175.01 12.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.501 ' N ' HD12 ' A' ' 41' ' ' LEU . 15.1 m -99.3 115.4 29.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 108.262 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.7 p -157.55 94.52 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.574 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -106.42 174.55 5.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . 166.45 -152.6 21.77 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.462 1.102 . . . . 0.0 111.001 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 45' ' ' GLY . 0.4 OUTLIER -37.35 133.65 0.69 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.517 0.775 . . . . 0.0 110.312 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.55 108.39 1.38 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.29 46.23 3.6 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -103.13 27.48 7.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 0.786 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.21 -85.23 1.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' CA ' ' A' ' 30' ' ' GLY . 0.2 OUTLIER -95.19 163.9 13.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' CD ' ' O ' ' A' ' 46' ' ' GLU . 38.7 tp60 -146.6 73.8 1.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 m -53.76 129.5 55.43 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 108.247 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -176.68 3.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.537 1.809 . . . . 0.0 110.971 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.96 134.69 57.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.785 ' HA3' HH21 ' A' ' 34' ' ' ARG . . . 87.85 -3.68 85.91 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 41.7 m-85 -122.37 147.57 46.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.762 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.8 OUTLIER -145.02 123.12 12.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 110.308 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 58' ' ' ARG . 10.0 mt-30 -37.12 126.5 0.96 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.426 1.079 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.125 . . . . 0.0 108.29 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.21 143.12 18.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.425 ' SG ' ' CD1' ' A' ' 5' ' ' TYR . 0.5 OUTLIER -179.53 161.53 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 108.313 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 4' ' ' ARG . 0.4 OUTLIER -101.32 66.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.574 1.171 . . . . 0.0 110.35 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 19' ' ' CYS . 82.8 m-85 -36.91 118.53 0.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.498 1.124 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.453 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -142.52 172.47 12.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.7 mp -90.17 122.38 33.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.0 m -139.01 170.58 15.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 75.1 m -100.85 128.19 47.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 108.331 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.91 -10.83 43.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.62 -20.81 10.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 13' ' ' LEU . . . -148.98 87.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.614 ' CB ' ' O ' ' A' ' 12' ' ' ALA . 7.1 tp 153.85 -24.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.426 1.079 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.611 ' CB ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 96.84 135.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.923 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -37.56 117.66 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.56 HG22 ' H ' ' A' ' 17' ' ' SER . 0.8 OUTLIER -145.0 -176.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.56 ' H ' HG22 ' A' ' 16' ' ' VAL . 14.4 m -79.26 144.59 34.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.171 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.74 158.69 43.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.567 ' HB2' ' CE2' ' A' ' 5' ' ' TYR . 46.3 t -109.29 91.68 3.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 108.279 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -113.69 166.9 11.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.649 ' O ' HD12 ' A' ' 20' ' ' LEU . 2.7 m170 -106.16 170.98 7.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.597 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.64 -30.16 66.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.23 1.54 21.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.038 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 1.8 tp10 -129.12 152.7 48.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 164.7 19.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.962 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.718 ' SG ' HD22 ' A' ' 20' ' ' LEU . 1.2 p -137.42 178.88 6.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 108.28 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.3 tp -93.4 98.02 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.767 HG13 ' HD2' ' A' ' 29' ' ' PRO . 57.0 t -69.13 144.16 94.96 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.418 1.074 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.767 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.99 -171.29 0.94 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.589 1.836 . . . . 0.0 111.063 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.69 153.21 25.09 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.494 1.121 . . . . 0.0 110.947 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.19 109.53 20.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 109.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 5.2 m -88.98 120.61 30.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 108.346 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.7 m -107.83 137.08 46.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.253 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.707 HH21 ' HA2' ' A' ' 56' ' ' GLY . 0.4 OUTLIER -142.61 127.44 18.23 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.02 -97.67 0.02 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.563 1.164 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -130.82 47.89 2.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 0.726 . . . . 0.0 109.241 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.3 m -153.32 156.45 38.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.9 ttp180 -143.39 150.37 39.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.007 HD21 HD23 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -150.5 133.54 16.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.9 m -111.63 112.41 24.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.407 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.007 HD23 HD21 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -151.16 171.21 17.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.923 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 4.0 m -89.49 118.91 29.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 108.272 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 20.9 m -153.71 109.14 3.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.985 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.65 ' CD1' ' N ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -89.62 161.55 16.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLU . . . -114.74 -96.78 2.14 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 49' ' ' ASN . 1.5 pt-20 -38.42 154.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 0.79 . . . . 0.0 110.272 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.98 50.87 3.42 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.598 1.187 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.41 -83.52 0.04 OUTLIER Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.426 ' O ' ' CG ' ' A' ' 46' ' ' GLU . 13.9 t30 -142.3 -154.89 0.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 0.786 . . . . 0.0 109.242 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 66.65 158.84 0.72 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.572 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 23.5 t80 -113.11 149.58 33.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' NE2' ' H ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -140.35 -177.3 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.482 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 1.3 m -122.13 139.48 30.58 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 108.223 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.98 175.77 10.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 111.035 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 19.7 m -61.14 130.92 48.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.417 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.707 ' HA2' HH21 ' A' ' 34' ' ' ARG . . . 90.41 -1.56 79.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.478 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 40.0 m-85 -123.25 155.63 36.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 0.774 . . . . 0.0 111.029 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -148.37 120.53 8.32 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.551 1.157 . . . . 0.0 110.28 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 5.9 tt0 -36.95 137.43 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 108.352 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -110.06 155.73 21.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 173.94 150.75 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.327 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -103.27 89.45 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.201 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -51.88 113.94 1.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 m -125.88 163.09 23.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.401 1.063 . . . . 0.0 110.365 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.17 109.24 20.74 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.556 1.16 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.5 m -105.54 158.64 16.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.04 155.15 19.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.28 -15.19 34.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.423 1.077 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA2' ' CD2' ' A' ' 27' ' ' LEU . . . 86.07 -26.55 6.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.98 60.87 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' A' ' 14' ' ' LYS . 0.7 OUTLIER 179.92 -100.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.288 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 mmmt -150.68 -176.66 5.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.45 117.15 29.86 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.585 HG22 ' H ' ' A' ' 17' ' ' SER . 6.3 p -116.93 173.97 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.585 ' H ' HG22 ' A' ' 16' ' ' VAL . 11.9 p -87.65 149.98 23.93 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.47 1.106 . . . . 0.0 110.029 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.03 158.6 44.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 t -110.21 91.63 3.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.323 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.57 158.24 26.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.563 ' CE1' ' HB2' ' A' ' 3' ' ' CYS . 33.9 m-70 -98.48 173.95 6.7 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.095 . . . . 0.0 109.608 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -66.31 -31.36 72.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.05 2.37 20.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 109.953 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -125.66 146.6 49.65 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.534 1.146 . . . . 0.0 110.389 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.14 146.94 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.935 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -127.81 178.37 6.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.54 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 8.6 tp -64.93 75.31 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.608 HG22 ' HD2' ' A' ' 29' ' ' PRO . 2.9 p -65.57 142.09 98.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.608 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.01 -169.52 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.431 1.753 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.578 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.09 156.85 27.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.5 m-20 -106.54 125.2 50.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 0.776 . . . . 0.0 109.245 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 58' ' ' ARG . 16.0 m -102.73 122.25 44.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 1.102 . . . . 0.0 108.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.466 ' O ' ' CG ' ' A' ' 58' ' ' ARG . 0.7 OUTLIER -96.37 132.1 42.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 108.293 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.701 ' CZ ' ' CE2' ' A' ' 57' ' ' TYR . 6.2 ttm180 -131.21 89.07 2.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.24 -83.01 0.19 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.396 1.06 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -137.09 22.16 3.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -128.58 118.79 23.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.986 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -97.0 147.65 23.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -140.23 159.61 41.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.945 ' O ' HD23 ' A' ' 41' ' ' LEU . 7.6 m -138.27 114.53 10.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.945 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.45 -172.29 4.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -110.46 122.16 47.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.423 1.077 . . . . 0.0 108.209 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.1 t -160.71 115.36 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.003 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.54 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 44.3 m-85 -116.06 179.34 4.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -138.58 -148.86 5.38 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.36 9.63 4.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 110.237 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.3 59.55 2.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.148 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.38 -70.93 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -106.28 36.09 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 0.77 . . . . 0.0 109.288 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 64.39 -75.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.518 1.136 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 0.6 OUTLIER -85.77 161.16 19.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 0.77 . . . . 0.0 110.976 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.13 66.44 1.56 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 110.386 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.409 ' SG ' ' O ' ' A' ' 58' ' ' ARG . 7.2 m -50.59 151.53 4.0 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.02 167.95 25.9 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.479 1.778 . . . . 0.0 110.998 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.2 m -63.54 126.2 26.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.519 1.137 . . . . 0.0 110.369 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.84 -5.74 53.98 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.701 ' CE2' ' CZ ' ' A' ' 34' ' ' ARG . 43.3 m-85 -114.3 176.71 4.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.769 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' O ' ' HA ' ' A' ' 32' ' ' CYS . 0.3 OUTLIER -147.12 -175.02 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.326 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -91.36 124.47 35.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 108.32 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.488 ' O ' ' CD2' ' A' ' 21' ' ' HIS . 2.1 mtm180 -81.83 156.31 24.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.561 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.3 OUTLIER -144.73 161.98 37.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 108.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' ' OG1' ' A' ' 6' ' ' THR . 1.6 mtm-85 -103.86 77.78 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.41 ' O ' ' CD1' ' A' ' 5' ' ' TYR . 5.9 p90 -46.61 117.47 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.0 m -130.66 166.39 20.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 112.54 24.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.1 m -111.56 163.08 14.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.272 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 3.0 m -103.17 132.89 49.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 108.322 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.424 ' C ' ' N ' ' A' ' 12' ' ' ALA . 0.4 OUTLIER -105.21 21.7 16.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 41.62 26.98 0.29 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.498 1.124 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' LEU . . . -127.49 -126.87 0.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -37.71 -65.88 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.298 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HD2' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 177.6 176.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -57.4 119.44 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 p -121.62 155.4 25.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -73.08 151.4 41.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 109.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.11 153.58 36.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.1 t -99.37 86.33 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 108.282 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.774 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -112.36 166.17 11.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.651 ' O ' HD12 ' A' ' 20' ' ' LEU . 69.2 m80 -118.45 -179.29 3.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.422 1.076 . . . . 0.0 109.574 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -25.42 64.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 110.303 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.25 -1.33 36.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -131.76 155.72 47.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.24 134.92 17.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.774 ' SG ' HD22 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -117.65 170.37 8.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.318 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.575 ' HG ' ' CE1' ' A' ' 44' ' ' TYR . 9.4 tp -63.49 88.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.274 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.709 HG13 ' HD2' ' A' ' 29' ' ' PRO . 76.2 t -68.46 143.41 95.38 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.709 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.2 Cg_endo -75.03 -167.8 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.486 1.782 . . . . 0.0 111.046 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.59 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -148.79 150.62 22.8 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.563 1.164 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 4.1 m-20 -107.15 121.99 45.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' CB ' ' CD2' ' A' ' 57' ' ' TYR . 5.0 m -97.28 116.64 29.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 108.29 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 94.6 m -114.31 141.26 47.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 108.31 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -153.31 114.79 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 65.34 -98.41 0.32 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.506 1.129 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.97 24.46 6.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.306 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.7 m -123.92 153.22 41.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.579 1.174 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 42.0 ttp180 -147.31 152.26 37.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.679 HD22 ' OH ' ' A' ' 57' ' ' TYR . 1.6 tp -150.49 160.89 43.46 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.944 ' O ' HD23 ' A' ' 41' ' ' LEU . 35.2 m -139.87 110.09 6.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.566 1.166 . . . . 0.0 110.456 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.944 HD23 ' O ' ' A' ' 40' ' ' THR . 0.2 OUTLIER -150.85 -169.41 3.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.6 m -104.58 122.63 45.99 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.549 1.156 . . . . 0.0 108.348 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -160.16 92.88 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.543 1.152 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.575 ' CE1' ' HG ' ' A' ' 27' ' ' LEU . 3.2 m-85 -101.88 173.08 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -89.02 36.14 3.54 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 59.6 151.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.642 0.848 . . . . 0.0 110.319 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.88 -49.7 4.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.54 1.15 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.95 72.87 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -135.6 -154.22 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.747 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -57.26 -158.39 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.404 1.065 . . . . 0.0 110.983 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.59 ' CE1' ' HA3' ' A' ' 30' ' ' GLY . 0.8 OUTLIER -95.88 162.78 13.43 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 111.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.46 70.49 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -48.07 135.99 11.45 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.482 1.114 . . . . 0.0 108.295 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.01 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.413 1.744 . . . . 0.0 110.957 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.55 123.88 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 110.419 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.5 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 99.37 -7.05 59.72 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.679 ' OH ' HD22 ' A' ' 39' ' ' LEU . 5.5 m-30 -114.26 150.96 33.58 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.772 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -139.03 111.09 7.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 110.324 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.452 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 4.6 pt20 -35.39 136.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.374 1.047 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 108.326 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -93.69 163.94 13.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 1.0 OUTLIER 162.85 147.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 108.303 -179.936 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.431 ' O ' HG22 ' A' ' 6' ' ' THR . 16.1 tpp180 -102.42 69.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.326 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.569 ' CE2' ' SG ' ' A' ' 19' ' ' CYS . 92.3 m-85 -46.17 117.78 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.471 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -143.57 173.7 11.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.353 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.1 mt -98.51 119.82 37.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 60.2 m -117.34 161.68 19.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 21.1 m -100.78 132.73 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.441 ' C ' ' N ' ' A' ' 12' ' ' ALA . 69.1 m-20 -118.93 32.21 6.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.06 27.01 0.12 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.441 ' N ' ' C ' ' A' ' 10' ' ' ASP . . . -103.13 -129.87 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 0.737 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.961 HD13 ' H ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.07 -37.11 86.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.961 ' H ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER 172.03 -169.37 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.542 1.151 . . . . 0.0 109.358 179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.28 116.23 8.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.24 146.7 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.605 1.191 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.2 t -59.37 150.87 25.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.64 43.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.569 ' SG ' ' CE2' ' A' ' 5' ' ' TYR . 5.5 t -113.11 95.98 5.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 108.26 -179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.733 HD22 ' SG ' ' A' ' 26' ' ' CYS . 0.2 OUTLIER -126.67 167.38 15.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m170 -113.18 -179.84 3.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.585 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -26.02 64.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.345 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.93 -0.99 33.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.939 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -130.53 157.62 42.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.94 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.07 159.62 41.77 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.733 ' SG ' HD22 ' A' ' 20' ' ' LEU . 1.1 p -138.37 176.75 8.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 0.0 108.338 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD21 ' CE2' ' A' ' 44' ' ' TYR . 1.2 tp -73.89 85.68 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.381 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.698 HG23 ' HD2' ' A' ' 29' ' ' PRO . 2.6 p -69.79 143.21 91.98 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.698 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.6 Cg_endo -74.92 -172.59 1.29 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.486 1.782 . . . . 0.0 111.081 179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.551 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -149.46 152.82 24.73 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -107.0 110.25 22.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 0.787 . . . . 0.0 109.262 -179.947 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' O ' HD23 ' A' ' 39' ' ' LEU . 16.3 m -89.17 121.02 31.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.615 1.197 . . . . 0.0 108.277 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.44 129.22 45.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 3.1 ttp180 -127.6 101.34 6.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.12 -81.89 0.02 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.573 1.171 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.8 OUTLIER -140.6 24.43 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.317 -179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 m -132.32 112.66 12.39 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.503 1.127 . . . . 0.0 109.945 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -103.31 145.86 29.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.234 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD23 ' O ' ' A' ' 32' ' ' CYS . 1.4 pt? -150.25 137.98 19.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.5 m -107.93 119.04 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.544 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -150.44 169.2 22.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 179.967 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.544 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 m -90.13 120.43 31.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 108.275 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.609 ' O ' ' CD2' ' A' ' 51' ' ' PHE . 0.1 OUTLIER -154.74 126.44 7.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 109.997 179.963 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.639 ' CE2' HD21 ' A' ' 27' ' ' LEU . 1.9 m-85 -89.51 165.49 14.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 111.045 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 165.09 125.22 0.75 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.449 1.093 . . . . 0.0 111.035 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -82.72 139.18 33.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.83 -47.88 0.6 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 0.0 111.029 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.35 -86.94 1.94 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -144.15 73.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 72.76 -60.15 1.68 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.5 1.125 . . . . 0.0 111.02 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 43' ' ' SER . 2.4 t80 -86.83 149.17 25.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 0.724 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 1.3 tt0 -143.63 -176.86 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.74 145.55 34.88 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 108.244 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.0 178.05 7.78 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.3 t -61.6 135.7 57.74 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.49 1.119 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 85.09 -4.77 84.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.454 1.096 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 42.9 m-85 -119.37 153.57 34.96 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.469 0.746 . . . . 0.0 111.034 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 59' ' ' GLN . 1.7 tmt_? -147.49 122.36 9.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.35 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.4 mt-30 -37.56 130.6 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mmt85 -122.31 156.0 34.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 110.314 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.618 ' CB ' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 63.22 158.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 108.262 179.984 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.407 ' O ' ' OG1' ' A' ' 6' ' ' THR . 14.9 mtm180 -118.89 99.72 6.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.278 179.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -46.15 116.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 111.045 179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 4.4 m -128.56 166.1 19.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.397 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 mp -108.94 117.83 35.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.1 m -118.9 157.61 27.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 108.353 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 7.9 m -75.57 149.78 38.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 108.29 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LYS . 9.9 m-20 -94.36 29.36 2.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.22 3.11 44.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.511 1.132 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -145.16 45.92 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 0.748 . . . . 0.0 109.348 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.012 HD23 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER 71.09 -54.48 0.67 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.459 1.099 . . . . 0.0 109.352 -179.954 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 1.012 ' N ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -38.46 105.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.264 179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.72 122.98 35.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.5 144.44 30.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.245 -179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 6' ' ' THR . 1.4 p -84.82 135.27 34.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.132 . . . . 0.0 109.973 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.32 157.85 45.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.375 -179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 29.8 t -93.64 82.38 4.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.168 . . . . 0.0 108.276 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.533 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -102.79 157.4 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.971 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.618 ' CD2' ' CB ' ' A' ' 3' ' ' CYS . 63.8 m80 -106.28 -179.67 4.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.544 -179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.0 -26.64 64.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.22 1.75 23.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.005 179.987 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -125.94 156.36 39.88 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.3 p -148.27 147.45 29.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.008 179.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.533 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -136.03 172.47 12.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 108.284 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.899 HD11 ' CE1' ' A' ' 44' ' ' TYR . 0.6 OUTLIER -66.91 93.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.749 HG13 ' HD2' ' A' ' 29' ' ' PRO . 69.5 t -81.51 143.87 52.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.226 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.749 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -75.06 -169.6 0.66 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.451 1.764 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.599 ' HA3' ' CZ ' ' A' ' 51' ' ' PHE . . . -148.89 150.26 22.38 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.664 ' CG ' HG23 ' A' ' 40' ' ' THR . 0.1 OUTLIER -114.42 102.57 10.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 0.774 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.479 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 3.2 m -89.43 121.57 31.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 108.313 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.4 p -120.76 148.53 43.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 108.268 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CB ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -157.38 120.62 4.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.26 -179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 69.01 -88.18 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.2 26.07 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 t -131.12 121.3 24.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.003 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -122.66 148.12 45.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.4 tp -150.69 132.92 15.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.664 HG23 ' CG ' ' A' ' 31' ' ' ASP . 10.0 m -115.0 112.69 23.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.384 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.61 HD12 ' O ' ' A' ' 42' ' ' CYS . 0.3 OUTLIER -152.02 171.63 17.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.61 ' O ' HD12 ' A' ' 41' ' ' LEU . 32.5 m -94.3 124.58 38.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.448 1.093 . . . . 0.0 108.235 -179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 52' ' ' GLN . 5.4 t -160.13 109.77 1.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.899 ' CE1' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -95.3 164.29 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 111.054 179.986 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 150.68 172.72 20.11 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 47' ' ' GLY . 2.4 mm-40 63.1 8.21 3.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 0.786 . . . . 0.0 110.277 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 46' ' ' GLU . . . 36.09 45.7 0.89 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.52 1.138 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.73 -107.11 3.05 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -90.24 45.43 1.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 0.813 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 46.8 22.88 1.27 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.599 ' CZ ' ' HA3' ' A' ' 30' ' ' GLY . 5.3 t80 -137.49 152.44 49.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 43' ' ' SER . 4.0 tp60 -148.44 90.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' CE2' ' A' ' 51' ' ' PHE . 60.4 m -60.5 147.25 83.4 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 108.36 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.2 Cg_endo -75.0 167.83 26.19 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 110.975 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.6 t -63.43 130.93 46.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CB ' ' A' ' 34' ' ' ARG . . . 92.24 -1.27 73.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.122 . . . . 0.0 111.024 -179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 43.6 m-85 -124.8 147.07 48.91 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 0.803 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 59' ' ' GLN . 13.3 ptp180 -145.92 129.28 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 58' ' ' ARG . 1.0 OUTLIER -37.34 131.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 179.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 108.356 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' CYS . 4.0 mmm180 -129.33 164.05 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -41.54 157.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 108.36 179.973 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -107.12 88.76 2.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -49.23 115.54 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' SER . 1.7 m -120.82 162.74 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.383 179.945 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mt -93.26 101.43 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 80.5 m -111.31 164.52 12.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.31 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.1 m -90.38 155.88 18.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 108.358 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.606 ' OD2' HD23 ' A' ' 13' ' ' LEU . 7.7 m-20 -89.25 -11.71 42.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -35.77 4.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.85 67.61 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.606 HD23 ' OD2' ' A' ' 10' ' ' ASP . 0.9 OUTLIER -178.9 -96.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -178.37 6.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.64 117.66 30.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.53 HG22 ' H ' ' A' ' 17' ' ' SER . 1.0 OUTLIER -117.97 178.84 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.53 ' H ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -96.27 116.39 28.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.415 1.072 . . . . 0.0 110.026 179.98 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -105.97 151.03 25.13 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 109.354 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -99.06 84.4 3.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 108.319 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.51 ' CD2' ' CG ' ' A' ' 24' ' ' GLU . 1.0 OUTLIER -117.41 158.64 24.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -95.14 175.01 6.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.591 -179.969 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -66.03 -31.18 71.92 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.38 3.44 18.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.51 ' CG ' ' CD2' ' A' ' 20' ' ' LEU . 3.7 tp10 -122.94 154.8 37.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.49 143.04 29.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.587 1.179 . . . . 0.0 110.017 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.61 169.5 11.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.259 179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD21 ' HE1' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -63.34 93.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.437 1.086 . . . . 0.0 109.359 179.928 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.411 HG13 ' HD2' ' A' ' 29' ' ' PRO . 1.2 t -78.85 150.56 75.53 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -74.95 -168.5 0.52 Allowed 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -148.12 147.0 17.24 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -108.19 104.6 14.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 0.747 . . . . 0.0 109.309 179.937 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 1.3 m -89.85 124.76 34.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 108.314 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 2.1 m -101.69 143.61 31.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 108.36 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -141.45 103.37 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.401 1.063 . . . . 0.0 110.337 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.34 -85.79 0.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.567 1.167 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -141.09 24.09 2.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.77 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.1 m -132.88 123.73 26.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 110.055 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 40.8 ttp180 -105.95 152.68 23.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.744 HD21 HD12 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -150.23 125.95 10.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.287 179.953 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.72 ' O ' HD23 ' A' ' 41' ' ' LEU . 7.2 m -109.6 120.42 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.744 HD12 HD21 ' A' ' 39' ' ' LEU . 30.8 mt -150.96 -179.84 7.63 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 22.7 m -109.49 119.36 39.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 108.353 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.6 p -160.8 141.48 11.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' HE1' HD21 ' A' ' 27' ' ' LEU . 58.8 m-85 -100.5 175.63 5.61 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' CA ' ' HB2' ' A' ' 52' ' ' GLN . . . -115.89 64.51 0.33 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 60.58 10.31 2.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 0.737 . . . . 0.0 110.321 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.06 73.76 1.1 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.37 -64.61 0.04 OUTLIER Glycine 0 CA--C 1.53 0.983 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -91.18 39.38 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 0.78 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.25 -107.21 0.27 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 111.051 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.564 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 86.4 t80 -83.15 149.48 26.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 0.0 OUTLIER -141.83 -157.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.419 ' HB3' ' CB ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER 179.77 171.85 0.54 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.367 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' TYR . 18.4 Cg_endo -75.06 172.33 16.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.477 1.778 . . . . 0.0 110.964 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.2 m -62.72 126.23 26.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.41 -10.06 46.03 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.49 ' HB3' ' CB ' ' A' ' 32' ' ' CYS . 3.4 m-85 -107.77 117.49 34.26 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 0.781 . . . . 0.0 111.032 -179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -132.03 124.74 29.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.981 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 58' ' ' ARG . 6.8 tt0 -33.7 137.45 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 108.292 -179.975 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -47.76 169.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.556 ' HA ' ' CD2' ' A' ' 21' ' ' HIS . 0.5 OUTLIER -41.58 158.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.308 179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 5' ' ' TYR . 44.3 ttp180 -95.66 73.19 3.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 110.278 -179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 4' ' ' ARG . 4.0 m-85 -36.26 122.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -139.16 172.87 12.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.386 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.454 ' N ' ' OG1' ' A' ' 6' ' ' THR . 1.4 mm? -95.08 117.75 30.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.3 m -121.46 161.98 21.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.273 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 15' ' ' ALA . 34.7 m -105.06 146.74 28.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 108.335 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.45 -7.28 55.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.25 -32.6 4.61 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.058 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -151.39 84.3 1.31 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.582 0.813 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 14' ' ' LYS . 0.2 OUTLIER 173.33 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -177.1 122.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . . . -39.09 117.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.259 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.584 HG22 ' H ' ' A' ' 17' ' ' SER . 8.9 p -129.02 173.03 14.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 16' ' ' VAL . 23.5 m -72.17 151.8 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.25 157.8 43.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.1 t -111.09 92.96 4.24 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.267 -179.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD13 ' SG ' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -128.33 158.3 38.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.637 1.211 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 3' ' ' CYS . 68.7 m80 -104.14 -179.65 4.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.595 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -26.87 64.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.76 1.48 26.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.528 ' O ' HD11 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -127.12 151.5 48.57 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -136.84 127.54 27.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.546 ' SG ' HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -106.9 176.32 5.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 108.264 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD11 ' HE1' ' A' ' 44' ' ' TYR . 2.0 tm? -78.12 95.81 5.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.746 HG22 ' HD2' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -82.67 143.9 47.89 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.343 179.958 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.746 ' HD2' HG22 ' A' ' 28' ' ' VAL . 18.1 Cg_endo -75.04 -169.7 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.436 1.756 . . . . 0.0 110.997 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.574 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -147.99 146.31 15.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.431 1.082 . . . . 0.0 111.065 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -106.77 110.44 22.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 0.769 . . . . 0.0 109.278 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.494 ' CB ' ' HB3' ' A' ' 57' ' ' TYR . 5.1 m -92.2 124.41 36.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 108.26 -179.98 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 30.1 p -118.01 146.99 43.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 108.311 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.437 ' HA ' ' HD3' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -158.96 127.81 5.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.11 -90.19 0.22 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.27 27.91 1.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 0.795 . . . . 0.0 109.314 -179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.1 p -140.46 138.0 34.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 32.1 ttp180 -141.32 151.64 43.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.279 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.734 HD23 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -151.3 150.19 30.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -117.17 126.84 53.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.414 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 39' ' ' LEU . 85.9 mt -150.69 -176.43 5.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 m -113.23 116.43 29.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 108.291 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.434 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 6.7 m -159.92 135.77 8.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.419 ' HE1' HD11 ' A' ' 27' ' ' LEU . 23.5 m-85 -98.13 174.53 6.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -155.46 160.19 29.71 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.599 1.187 . . . . 0.0 111.008 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 61.37 9.82 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.42 80.4 1.28 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.13 50.32 6.35 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.49 29.59 7.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 0.793 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 128.4 -145.12 15.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.574 ' CE2' ' HA3' ' A' ' 30' ' ' GLY . 87.4 t80 -115.07 149.02 38.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 0.76 . . . . 0.0 111.002 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' O ' ' CE2' ' A' ' 51' ' ' PHE . 0.0 OUTLIER -120.06 -171.44 2.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 110.281 -179.995 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 69.7 m -143.13 144.57 29.23 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 108.281 -179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' A' ' 57' ' ' TYR . 18.3 Cg_endo -74.99 166.06 30.02 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.3 m -62.4 128.47 36.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.422 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.3 0.79 58.19 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' A' ' 54' ' ' PRO . 46.5 m-85 -126.21 159.36 33.22 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 0.808 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.7 OUTLIER -145.7 118.47 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.35 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -36.83 128.71 0.85 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.369 -179.95 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.341 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mtp180 -147.88 158.05 43.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER 68.82 154.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 108.317 -179.99 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.409 ' O ' ' OG1' ' A' ' 6' ' ' THR . 0.0 OUTLIER -114.47 90.32 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.249 -179.946 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -43.99 123.06 3.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 4' ' ' ARG . 1.9 m -128.38 163.26 25.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.0 mt -90.73 114.14 26.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.448 ' SG ' ' HB3' ' A' ' 18' ' ' ALA . 10.3 m -108.75 156.93 19.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 108.295 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 m -98.39 159.96 14.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 108.293 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -89.7 15.28 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' HA2' HD13 ' A' ' 27' ' ' LEU . . . 82.54 -12.75 44.98 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.114 . . . . 0.0 110.956 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.39 -131.54 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 0.746 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.914 HD13 ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -89.8 -24.61 21.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.246 -179.917 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.914 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.54 163.69 15.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -167.27 129.27 1.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.643 HG22 ' H ' ' A' ' 17' ' ' SER . 8.8 p -138.86 175.25 8.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.643 ' H ' HG22 ' A' ' 16' ' ' VAL . 31.1 t -92.9 155.9 17.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HB3' ' SG ' ' A' ' 8' ' ' CYS . . . -149.17 162.03 40.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.6 t -116.47 93.78 4.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 108.326 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD23 ' CG ' ' A' ' 24' ' ' GLU . 5.7 mp -120.53 158.82 26.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.596 1.185 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 3' ' ' CYS . 55.0 m80 -98.03 -179.84 4.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.3 -28.52 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.65 0.75 28.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.404 ' CG ' HD23 ' A' ' 20' ' ' LEU . 3.8 tp10 -127.87 153.99 46.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.247 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.26 133.26 16.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.109 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.468 ' O ' ' N ' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -111.11 177.99 4.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 108.363 180.0 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.59 ' CD2' ' CE1' ' A' ' 44' ' ' TYR . 0.7 OUTLIER -65.78 73.99 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.939 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.621 HG23 ' HD2' ' A' ' 29' ' ' PRO . 4.4 p -62.17 141.79 95.88 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.621 ' HD2' HG23 ' A' ' 28' ' ' VAL . 18.4 Cg_endo -74.97 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.53 1.805 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.595 ' HA3' ' CE1' ' A' ' 51' ' ' PHE . . . -149.07 149.53 21.54 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.483 1.115 . . . . 0.0 111.076 179.903 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.52 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -108.95 115.24 29.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.476 ' HB3' ' CD1' ' A' ' 57' ' ' TYR . 3.7 m -89.71 114.17 25.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 108.287 -179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -114.76 141.47 47.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.304 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 56' ' ' GLY . 0.0 OUTLIER -152.47 125.9 8.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.962 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.13 -98.68 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.0 pttt -123.49 51.81 1.46 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.516 0.774 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.0 t -153.88 153.25 31.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.019 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 39' ' ' LEU . 6.7 tmm_? -150.25 150.07 31.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.273 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 31' ' ' ASP . 10.3 tp -151.12 162.46 40.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.959 ' O ' HD23 ' A' ' 41' ' ' LEU . 38.9 m -138.3 113.84 9.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 110.378 -179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.959 HD23 ' O ' ' A' ' 40' ' ' THR . 0.3 OUTLIER -150.43 -173.78 4.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 179.92 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.4 m -106.95 117.68 34.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.615 ' O ' ' CD1' ' A' ' 51' ' ' PHE . 13.9 m -160.32 115.86 2.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.026 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.59 ' CE1' ' CD2' ' A' ' 27' ' ' LEU . 5.5 m-85 -112.67 179.44 3.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 111.044 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -79.04 52.35 3.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.432 1.082 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 59.84 10.5 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.24 -104.1 0.18 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.534 1.146 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.39 54.84 0.6 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -118.18 84.89 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 47.41 -110.68 0.63 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.615 ' CD1' ' O ' ' A' ' 43' ' ' SER . 1.5 t80 -135.5 160.81 37.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 111.061 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 64.6 tp60 -129.72 64.56 1.5 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 59' ' ' GLN . 1.3 m -49.42 137.62 16.12 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 108.311 179.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 179.4 6.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 t -60.23 132.93 55.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' ' CG ' ' A' ' 34' ' ' ARG . . . 82.86 6.11 88.73 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.476 ' CD1' ' HB3' ' A' ' 32' ' ' CYS . 32.6 m-85 -131.68 144.14 50.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.978 -179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' GLN . 0.1 OUTLIER -143.53 123.35 13.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.272 179.93 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.45 ' N ' ' SG ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -36.24 141.58 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 110.303 179.974 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 108.261 -179.992 . . . . . . . . 1 1 . 1 stop_ save_